# generated using pymatgen data_Cu2SiP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94244600 _cell_length_b 9.82954009 _cell_length_c 9.82954009 _cell_angle_alpha 86.37615427 _cell_angle_beta 75.43916612 _cell_angle_gamma 75.43916612 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2SiP4 _chemical_formula_sum 'Cu8 Si4 P16' _cell_volume 447.35519621 _cell_formula_units_Z 4 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 0.74085500 0.13340300 0.60008300 1.0 Cu Cu1 1 0.47434200 0.86659700 0.39991700 1.0 Cu Cu2 1 0.59093900 0.89991700 0.63340300 1.0 Cu Cu3 1 0.50914500 0.36659700 0.89991700 1.0 Cu Cu4 1 0.12425800 0.10008300 0.36659700 1.0 Cu Cu5 1 0.77565800 0.63340300 0.10008300 1.0 Cu Cu6 1 0.65906100 0.60008300 0.86659700 1.0 Cu Cu7 1 0.12574200 0.39991700 0.13340300 1.0 Si Si8 1 0.12500000 0.25000000 0.75000000 1.0 Si Si9 1 0.12500000 0.75000000 0.25000000 1.0 Si Si10 1 0.12500000 0.75000000 0.75000000 1.0 Si Si11 1 0.62500000 0.25000000 0.25000000 1.0 P P12 1 0.51055900 0.68622200 0.56260500 1.0 P P13 1 0.75938700 0.31377800 0.43739500 1.0 P P14 1 0.32316400 0.93739500 0.18622200 1.0 P P15 1 0.73944100 0.81377800 0.93739500 1.0 P P16 1 0.44678200 0.06260500 0.81377800 1.0 P P17 1 0.49061300 0.18622200 0.06260500 1.0 P P18 1 0.92683600 0.56260500 0.31377800 1.0 P P19 1 0.80321800 0.43739500 0.68622200 1.0 P P20 1 0.29295300 0.87233700 0.88438600 1.0 P P21 1 0.04967600 0.12766300 0.11561400 1.0 P P22 1 0.42733900 0.61561400 0.37233700 1.0 P P23 1 0.95704700 0.62766300 0.61561400 1.0 P P24 1 0.41529000 0.38438600 0.62766300 1.0 P P25 1 0.20032400 0.37233700 0.38438600 1.0 P P26 1 0.82266100 0.88438600 0.12766300 1.0 P P27 1 0.83471000 0.11561400 0.87233700 1.0