# generated using pymatgen data_Cu4SiP8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.06175365 _cell_length_b 9.06177587 _cell_length_c 9.06252755 _cell_angle_alpha 95.65932667 _cell_angle_beta 95.66107319 _cell_angle_gamma 143.39181720 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4SiP8 _chemical_formula_sum 'Cu8 Si2 P16' _cell_volume 421.32932871 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.36235467 0.57683997 0.81030536 1.0 Cu Cu1 1 0.80207461 0.11236526 0.28550343 1.0 Cu Cu2 1 0.82686151 0.51656250 0.71450275 1.0 Cu Cu3 1 0.76654593 0.55205898 0.18970184 1.0 Cu Cu4 1 0.88764141 0.17315533 0.68969427 1.0 Cu Cu5 1 0.44792988 0.63763724 0.21449681 1.0 Cu Cu6 1 0.42313531 0.23343616 0.78549717 1.0 Cu Cu7 1 0.48345452 0.19794346 0.31029816 1.0 Si Si8 1 0.25001737 0.75001463 0.50000723 1.0 Si Si9 1 -0.00001801 -0.00001520 -0.00000697 1.0 P P10 1 0.36042327 0.15726135 0.02554515 1.0 P P11 1 0.40729298 0.88173163 0.29686332 1.0 P P12 1 0.66511346 0.63955084 0.79682512 1.0 P P13 1 0.11829174 0.41511828 0.52553431 1.0 P P14 1 0.88957603 0.59273836 0.47445506 1.0 P P15 1 0.84270536 0.86826700 0.20313603 1.0 P P16 1 0.58488738 0.11045069 0.70317420 1.0 P P17 1 0.13171251 0.33488517 0.97446895 1.0 P P18 1 0.07502151 0.95628860 0.57355936 1.0 P P19 1 0.75144394 0.82501539 0.61874226 1.0 P P20 1 0.20623239 0.13266060 0.38121635 1.0 P P21 1 0.38270676 0.50143356 0.42642263 1.0 P P22 1 0.17497907 0.79371122 0.92643997 1.0 P P23 1 0.49855809 0.92498631 0.88125735 1.0 P P24 1 0.04376575 0.61733747 0.11878246 1.0 P P25 1 0.86729256 0.24856520 0.07357741 1.0