# generated using pymatgen data_Cu3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90864863 _cell_length_b 6.90864866 _cell_length_c 7.12930719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999504 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3P _chemical_formula_sum 'Cu18 P6' _cell_volume 294.68918227 _cell_formula_units_Z 6 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 0.37500093 0.06470712 0.07603114 1.0 Cu Cu1 1 0.93529288 0.31029381 0.07603114 1.0 Cu Cu2 1 0.68970619 0.62499907 0.07603114 1.0 Cu Cu3 1 0.31029381 0.93529288 0.42396886 1.0 Cu Cu4 1 0.62499907 0.68970619 0.42396886 1.0 Cu Cu5 1 0.06470712 0.37500093 0.42396886 1.0 Cu Cu6 1 0.62499907 0.93529288 0.92396886 1.0 Cu Cu7 1 0.06470712 0.68970619 0.92396886 1.0 Cu Cu8 1 0.31029381 0.37500093 0.92396886 1.0 Cu Cu9 1 0.68970619 0.06470712 0.57603114 1.0 Cu Cu10 1 0.37500093 0.31029381 0.57603114 1.0 Cu Cu11 1 0.93529288 0.62499907 0.57603114 1.0 Cu Cu12 1 0.33333300 0.66666700 0.17289149 1.0 Cu Cu13 1 0.66666700 0.33333300 0.32710851 1.0 Cu Cu14 1 0.66666700 0.33333300 0.82710851 1.0 Cu Cu15 1 0.33333300 0.66666700 0.67289149 1.0 Cu Cu16 1 -0.00000000 -0.00000000 0.25000000 1.0 Cu Cu17 1 -0.00000000 -0.00000000 0.75000000 1.0 P P18 1 0.66423249 0.00000000 0.25000000 1.0 P P19 1 0.00000000 0.66423249 0.25000000 1.0 P P20 1 0.33576751 0.33576751 0.25000000 1.0 P P21 1 0.33576751 -0.00000000 0.75000000 1.0 P P22 1 -0.00000000 0.33576751 0.75000000 1.0 P P23 1 0.66423249 0.66423249 0.75000000 1.0