data_IRMOF-1_PM _symmetry_space_group_name_H-M 'P1' _symmetry_cell_setting triclinic _cell_length_a 25.832000 _cell_length_b 25.832000 _cell_length_c 25.832000 _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zn Zn 0.293380 0.206620 0.206620 Zn Zn 0.706620 0.793380 0.206620 Zn Zn 0.706620 0.206620 0.793380 Zn Zn 0.293380 0.793380 0.793380 Zn Zn 0.206620 0.293380 0.206620 Zn Zn 0.206620 0.706620 0.793380 Zn Zn 0.793380 0.706620 0.206620 Zn Zn 0.793380 0.293380 0.793380 Zn Zn 0.206620 0.206620 0.293380 Zn Zn 0.793380 0.206620 0.706620 Zn Zn 0.206620 0.793380 0.706620 Zn Zn 0.793380 0.793380 0.293380 Zn Zn 0.206620 0.293380 0.793380 Zn Zn 0.793380 0.706620 0.793380 Zn Zn 0.206620 0.706620 0.206620 Zn Zn 0.793380 0.293380 0.206620 Zn Zn 0.293380 0.206620 0.793380 Zn Zn 0.706620 0.206620 0.206620 Zn Zn 0.706620 0.793380 0.793380 Zn Zn 0.293380 0.793380 0.206620 Zn Zn 0.206620 0.206620 0.706620 Zn Zn 0.206620 0.793380 0.293380 Zn Zn 0.793380 0.206620 0.293380 Zn Zn 0.793380 0.793380 0.706620 Zn Zn 0.293380 0.706620 0.706620 Zn Zn 0.706620 0.293380 0.706620 Zn Zn 0.706620 0.706620 0.293380 Zn Zn 0.293380 0.293380 0.293380 Zn Zn 0.293380 0.706620 0.293380 Zn Zn 0.706620 0.706620 0.706620 Zn Zn 0.706620 0.293380 0.293380 Zn Zn 0.293380 0.293380 0.706620 O O 0.250000 0.250000 0.250000 O O 0.750000 0.750000 0.250000 O O 0.750000 0.250000 0.750000 O O 0.250000 0.750000 0.750000 O O 0.250000 0.250000 0.750000 O O 0.750000 0.750000 0.750000 O O 0.250000 0.750000 0.250000 O O 0.750000 0.250000 0.250000 O O 0.281870 0.218130 0.134000 O O 0.718130 0.781870 0.134000 O O 0.718130 0.218130 0.866000 O O 0.281870 0.781870 0.866000 O O 0.134000 0.281870 0.218130 O O 0.134000 0.718130 0.781870 O O 0.866000 0.718130 0.218130 O O 0.866000 0.281870 0.781870 O O 0.218130 0.134000 0.281870 O O 0.781870 0.134000 0.718130 O O 0.218130 0.866000 0.718130 O O 0.781870 0.866000 0.281870 O O 0.218130 0.281870 0.866000 O O 0.781870 0.718130 0.866000 O O 0.218130 0.718130 0.134000 O O 0.781870 0.281870 0.134000 O O 0.281870 0.134000 0.781870 O O 0.718130 0.134000 0.218130 O O 0.718130 0.866000 0.781870 O O 0.281870 0.866000 0.218130 O O 0.134000 0.218130 0.718130 O O 0.134000 0.781870 0.281870 O O 0.866000 0.218130 0.281870 O O 0.866000 0.781870 0.718130 O O 0.281870 0.718130 0.634000 O O 0.718130 0.281870 0.634000 O O 0.718130 0.718130 0.366000 O O 0.281870 0.281870 0.366000 O O 0.134000 0.781870 0.718130 O O 0.134000 0.218130 0.281870 O O 0.866000 0.218130 0.718130 O O 0.866000 0.781870 0.281870 O O 0.218130 0.634000 0.781870 O O 0.781870 0.634000 0.218130 O O 0.218130 0.366000 0.218130 O O 0.781870 0.366000 0.781870 O O 0.218130 0.781870 0.366000 O O 0.781870 0.218130 0.366000 O O 0.218130 0.218130 0.634000 O O 0.781870 0.781870 0.634000 O O 0.281870 0.634000 0.281870 O O 0.718130 0.634000 0.718130 O O 0.718130 0.366000 0.281870 O O 0.281870 0.366000 0.718130 O O 0.134000 0.718130 0.218130 O O 0.134000 0.281870 0.781870 O O 0.866000 0.718130 0.781870 O O 0.866000 0.281870 0.218130 O O 0.781870 0.218130 0.634000 O O 0.218130 0.781870 0.634000 O O 0.218130 0.218130 0.366000 O O 0.781870 0.781870 0.366000 O O 0.634000 0.281870 0.718130 O O 0.634000 0.718130 0.281870 O O 0.366000 0.718130 0.718130 O O 0.366000 0.281870 0.281870 O O 0.718130 0.134000 0.781870 O O 0.281870 0.134000 0.218130 O O 0.718130 0.866000 0.218130 O O 0.281870 0.866000 0.781870 O O 0.718130 0.281870 0.366000 O O 0.281870 0.718130 0.366000 O O 0.718130 0.718130 0.634000 O O 0.281870 0.281870 0.634000 O O 0.781870 0.134000 0.281870 O O 0.218130 0.134000 0.718130 O O 0.218130 0.866000 0.281870 O O 0.781870 0.866000 0.718130 O O 0.634000 0.218130 0.218130 O O 0.634000 0.781870 0.781870 O O 0.366000 0.218130 0.781870 O O 0.366000 0.781870 0.218130 O O 0.781870 0.718130 0.134000 O O 0.218130 0.281870 0.134000 O O 0.218130 0.718130 0.866000 O O 0.781870 0.281870 0.866000 O O 0.634000 0.781870 0.218130 O O 0.634000 0.218130 0.781870 O O 0.366000 0.218130 0.218130 O O 0.366000 0.781870 0.781870 O O 0.718130 0.634000 0.281870 O O 0.281870 0.634000 0.718130 O O 0.718130 0.366000 0.718130 O O 0.281870 0.366000 0.281870 O O 0.718130 0.781870 0.866000 O O 0.281870 0.218130 0.866000 O O 0.718130 0.218130 0.134000 O O 0.281870 0.781870 0.134000 O O 0.781870 0.634000 0.781870 O O 0.218130 0.634000 0.218130 O O 0.218130 0.366000 0.781870 O O 0.781870 0.366000 0.218130 O O 0.634000 0.718130 0.718130 O O 0.634000 0.281870 0.281870 O O 0.366000 0.718130 0.281870 O O 0.366000 0.281870 0.718130 C C 0.250000 0.250000 0.111300 C C 0.750000 0.750000 0.111300 C C 0.750000 0.250000 0.888700 C C 0.250000 0.750000 0.888700 C C 0.111300 0.250000 0.250000 C C 0.111300 0.750000 0.750000 C C 0.888700 0.750000 0.250000 C C 0.888700 0.250000 0.750000 C C 0.250000 0.111300 0.250000 C C 0.750000 0.111300 0.750000 C C 0.250000 0.888700 0.750000 C C 0.750000 0.888700 0.250000 C C 0.250000 0.250000 0.888700 C C 0.750000 0.750000 0.888700 C C 0.250000 0.750000 0.111300 C C 0.750000 0.250000 0.111300 C C 0.250000 0.111300 0.750000 C C 0.750000 0.111300 0.250000 C C 0.750000 0.888700 0.750000 C C 0.250000 0.888700 0.250000 C C 0.111300 0.250000 0.750000 C C 0.111300 0.750000 0.250000 C C 0.888700 0.250000 0.250000 C C 0.888700 0.750000 0.750000 C C 0.250000 0.750000 0.611300 C C 0.750000 0.250000 0.611300 C C 0.750000 0.750000 0.388700 C C 0.250000 0.250000 0.388700 C C 0.250000 0.611300 0.750000 C C 0.750000 0.611300 0.250000 C C 0.250000 0.388700 0.250000 C C 0.750000 0.388700 0.750000 C C 0.250000 0.750000 0.388700 C C 0.750000 0.250000 0.388700 C C 0.250000 0.250000 0.611300 C C 0.750000 0.750000 0.611300 C C 0.250000 0.611300 0.250000 C C 0.750000 0.611300 0.750000 C C 0.750000 0.388700 0.250000 C C 0.250000 0.388700 0.750000 C C 0.611300 0.250000 0.750000 C C 0.611300 0.750000 0.250000 C C 0.388700 0.750000 0.750000 C C 0.388700 0.250000 0.250000 C C 0.611300 0.250000 0.250000 C C 0.611300 0.750000 0.750000 C C 0.388700 0.250000 0.750000 C C 0.388700 0.750000 0.250000 C C 0.250000 0.250000 0.053800 C C 0.750000 0.750000 0.053800 C C 0.750000 0.250000 0.946200 C C 0.250000 0.750000 0.946200 C C 0.053800 0.250000 0.250000 C C 0.053800 0.750000 0.750000 C C 0.946200 0.750000 0.250000 C C 0.946200 0.250000 0.750000 C C 0.250000 0.053800 0.250000 C C 0.750000 0.053800 0.750000 C C 0.250000 0.946200 0.750000 C C 0.750000 0.946200 0.250000 C C 0.250000 0.250000 0.946200 C C 0.750000 0.750000 0.946200 C C 0.250000 0.750000 0.053800 C C 0.750000 0.250000 0.053800 C C 0.250000 0.053800 0.750000 C C 0.750000 0.053800 0.250000 C C 0.750000 0.946200 0.750000 C C 0.250000 0.946200 0.250000 C C 0.053800 0.250000 0.750000 C C 0.053800 0.750000 0.250000 C C 0.946200 0.250000 0.250000 C C 0.946200 0.750000 0.750000 C C 0.250000 0.750000 0.553800 C C 0.750000 0.250000 0.553800 C C 0.750000 0.750000 0.446200 C C 0.250000 0.250000 0.446200 C C 0.250000 0.553800 0.750000 C C 0.750000 0.553800 0.250000 C C 0.250000 0.446200 0.250000 C C 0.750000 0.446200 0.750000 C C 0.250000 0.750000 0.446200 C C 0.750000 0.250000 0.446200 C C 0.250000 0.250000 0.553800 C C 0.750000 0.750000 0.553800 C C 0.250000 0.553800 0.250000 C C 0.750000 0.553800 0.750000 C C 0.750000 0.446200 0.250000 C C 0.250000 0.446200 0.750000 C C 0.553800 0.250000 0.750000 C C 0.553800 0.750000 0.250000 C C 0.446200 0.750000 0.750000 C C 0.446200 0.250000 0.250000 C C 0.553800 0.250000 0.250000 C C 0.553800 0.750000 0.750000 C C 0.446200 0.250000 0.750000 C C 0.446200 0.750000 0.250000 C C 0.282900 0.217100 0.026900 C C 0.717100 0.782900 0.026900 C C 0.717100 0.217100 0.973100 C C 0.282900 0.782900 0.973100 C C 0.026900 0.282900 0.217100 C C 0.026900 0.717100 0.782900 C C 0.973100 0.717100 0.217100 C C 0.973100 0.282900 0.782900 C C 0.217100 0.026900 0.282900 C C 0.782900 0.026900 0.717100 C C 0.217100 0.973100 0.717100 C C 0.782900 0.973100 0.282900 C C 0.217100 0.282900 0.973100 C C 0.782900 0.717100 0.973100 C C 0.217100 0.717100 0.026900 C C 0.782900 0.282900 0.026900 C C 0.282900 0.026900 0.782900 C C 0.717100 0.026900 0.217100 C C 0.717100 0.973100 0.782900 C C 0.282900 0.973100 0.217100 C C 0.026900 0.217100 0.717100 C C 0.026900 0.782900 0.282900 C C 0.973100 0.217100 0.282900 C C 0.973100 0.782900 0.717100 C C 0.282900 0.717100 0.526900 C C 0.717100 0.282900 0.526900 C C 0.717100 0.717100 0.473100 C C 0.282900 0.282900 0.473100 C C 0.026900 0.782900 0.717100 C C 0.026900 0.217100 0.282900 C C 0.973100 0.217100 0.717100 C C 0.973100 0.782900 0.282900 C C 0.217100 0.526900 0.782900 C C 0.782900 0.526900 0.217100 C C 0.217100 0.473100 0.217100 C C 0.782900 0.473100 0.782900 C C 0.217100 0.782900 0.473100 C C 0.782900 0.217100 0.473100 C C 0.217100 0.217100 0.526900 C C 0.782900 0.782900 0.526900 C C 0.282900 0.526900 0.282900 C C 0.717100 0.526900 0.717100 C C 0.717100 0.473100 0.282900 C C 0.282900 0.473100 0.717100 C C 0.026900 0.717100 0.217100 C C 0.026900 0.282900 0.782900 C C 0.973100 0.717100 0.782900 C C 0.973100 0.282900 0.217100 C C 0.782900 0.217100 0.526900 C C 0.217100 0.782900 0.526900 C C 0.217100 0.217100 0.473100 C C 0.782900 0.782900 0.473100 C C 0.526900 0.282900 0.717100 C C 0.526900 0.717100 0.282900 C C 0.473100 0.717100 0.717100 C C 0.473100 0.282900 0.282900 C C 0.717100 0.026900 0.782900 C C 0.282900 0.026900 0.217100 C C 0.717100 0.973100 0.217100 C C 0.282900 0.973100 0.782900 C C 0.717100 0.282900 0.473100 C C 0.282900 0.717100 0.473100 C C 0.717100 0.717100 0.526900 C C 0.282900 0.282900 0.526900 C C 0.782900 0.026900 0.282900 C C 0.217100 0.026900 0.717100 C C 0.217100 0.973100 0.282900 C C 0.782900 0.973100 0.717100 C C 0.526900 0.217100 0.217100 C C 0.526900 0.782900 0.782900 C C 0.473100 0.217100 0.782900 C C 0.473100 0.782900 0.217100 C C 0.782900 0.717100 0.026900 C C 0.217100 0.282900 0.026900 C C 0.217100 0.717100 0.973100 C C 0.782900 0.282900 0.973100 C C 0.526900 0.782900 0.217100 C C 0.526900 0.217100 0.782900 C C 0.473100 0.217100 0.217100 C C 0.473100 0.782900 0.782900 C C 0.717100 0.526900 0.282900 C C 0.282900 0.526900 0.717100 C C 0.717100 0.473100 0.717100 C C 0.282900 0.473100 0.282900 C C 0.717100 0.782900 0.973100 C C 0.282900 0.217100 0.973100 C C 0.717100 0.217100 0.026900 C C 0.282900 0.782900 0.026900 C C 0.782900 0.526900 0.782900 C C 0.217100 0.526900 0.217100 C C 0.217100 0.473100 0.782900 C C 0.782900 0.473100 0.217100 C C 0.526900 0.717100 0.717100 C C 0.526900 0.282900 0.282900 C C 0.473100 0.717100 0.282900 C C 0.473100 0.282900 0.717100 H H 0.304900 0.195100 0.044800 H H 0.695100 0.804900 0.044800 H H 0.695100 0.195100 0.955200 H H 0.304900 0.804900 0.955200 H H 0.044800 0.304900 0.195100 H H 0.044800 0.695100 0.804900 H H 0.955200 0.695100 0.195100 H H 0.955200 0.304900 0.804900 H H 0.195100 0.044800 0.304900 H H 0.804900 0.044800 0.695100 H H 0.195100 0.955200 0.695100 H H 0.804900 0.955200 0.304900 H H 0.195100 0.304900 0.955200 H H 0.804900 0.695100 0.955200 H H 0.195100 0.695100 0.044800 H H 0.804900 0.304900 0.044800 H H 0.304900 0.044800 0.804900 H H 0.695100 0.044800 0.195100 H H 0.695100 0.955200 0.804900 H H 0.304900 0.955200 0.195100 H H 0.044800 0.195100 0.695100 H H 0.044800 0.804900 0.304900 H H 0.955200 0.195100 0.304900 H H 0.955200 0.804900 0.695100 H H 0.304900 0.695100 0.544800 H H 0.695100 0.304900 0.544800 H H 0.695100 0.695100 0.455200 H H 0.304900 0.304900 0.455200 H H 0.044800 0.804900 0.695100 H H 0.044800 0.195100 0.304900 H H 0.955200 0.195100 0.695100 H H 0.955200 0.804900 0.304900 H H 0.195100 0.544800 0.804900 H H 0.804900 0.544800 0.195100 H H 0.195100 0.455200 0.195100 H H 0.804900 0.455200 0.804900 H H 0.195100 0.804900 0.455200 H H 0.804900 0.195100 0.455200 H H 0.195100 0.195100 0.544800 H H 0.804900 0.804900 0.544800 H H 0.304900 0.544800 0.304900 H H 0.695100 0.544800 0.695100 H H 0.695100 0.455200 0.304900 H H 0.304900 0.455200 0.695100 H H 0.044800 0.695100 0.195100 H H 0.044800 0.304900 0.804900 H H 0.955200 0.695100 0.804900 H H 0.955200 0.304900 0.195100 H H 0.804900 0.195100 0.544800 H H 0.195100 0.804900 0.544800 H H 0.195100 0.195100 0.455200 H H 0.804900 0.804900 0.455200 H H 0.544800 0.304900 0.695100 H H 0.544800 0.695100 0.304900 H H 0.455200 0.695100 0.695100 H H 0.455200 0.304900 0.304900 H H 0.695100 0.044800 0.804900 H H 0.304900 0.044800 0.195100 H H 0.695100 0.955200 0.195100 H H 0.304900 0.955200 0.804900 H H 0.695100 0.304900 0.455200 H H 0.304900 0.695100 0.455200 H H 0.695100 0.695100 0.544800 H H 0.304900 0.304900 0.544800 H H 0.804900 0.044800 0.304900 H H 0.195100 0.044800 0.695100 H H 0.195100 0.955200 0.304900 H H 0.804900 0.955200 0.695100 H H 0.544800 0.195100 0.195100 H H 0.544800 0.804900 0.804900 H H 0.455200 0.195100 0.804900 H H 0.455200 0.804900 0.195100 H H 0.804900 0.695100 0.044800 H H 0.195100 0.304900 0.044800 H H 0.195100 0.695100 0.955200 H H 0.804900 0.304900 0.955200 H H 0.544800 0.804900 0.195100 H H 0.544800 0.195100 0.804900 H H 0.455200 0.195100 0.195100 H H 0.455200 0.804900 0.804900 H H 0.695100 0.544800 0.304900 H H 0.304900 0.544800 0.695100 H H 0.695100 0.455200 0.695100 H H 0.304900 0.455200 0.304900 H H 0.695100 0.804900 0.955200 H H 0.304900 0.195100 0.955200 H H 0.695100 0.195100 0.044800 H H 0.304900 0.804900 0.044800 H H 0.804900 0.544800 0.804900 H H 0.195100 0.544800 0.195100 H H 0.195100 0.455200 0.804900 H H 0.804900 0.455200 0.195100 H H 0.544800 0.695100 0.695100 H H 0.544800 0.304900 0.304900 H H 0.455200 0.695100 0.304900 H H 0.455200 0.304900 0.695100