# generated using pymatgen data_Ca(Cu2P)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77684940 _cell_length_b 7.24900050 _cell_length_c 7.24900050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(Cu2P)2 _chemical_formula_sum 'Ca2 Cu8 P4' _cell_volume 198.46591343 _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 Ca Ca0 1 0.50000000 0.50000000 0.50000000 1.0 Ca Ca1 1 -0.00000000 -0.00000000 -0.00000000 1.0 Cu Cu2 1 0.00000000 0.41638563 0.83578040 1.0 Cu Cu3 1 0.50000000 0.08361437 0.33578040 1.0 Cu Cu4 1 0.00000000 0.16421960 0.58361437 1.0 Cu Cu5 1 0.00000000 0.83578040 0.41638563 1.0 Cu Cu6 1 0.50000000 0.66421960 0.91638563 1.0 Cu Cu7 1 0.50000000 0.33578040 0.08361437 1.0 Cu Cu8 1 -0.00000000 0.58361437 0.16421960 1.0 Cu Cu9 1 0.50000000 0.91638563 0.66421960 1.0 P P10 1 -0.00000000 0.71927011 0.71927011 1.0 P P11 1 -0.00000000 0.28072989 0.28072989 1.0 P P12 1 0.50000000 0.21927011 0.78072989 1.0 P P13 1 0.50000000 0.78072989 0.21927011 1.0