# generated using pymatgen data_Nd3Cu4(P2O)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.56748487 _cell_length_b 13.56748487 _cell_length_c 13.56748501 _cell_angle_alpha 163.08576481 _cell_angle_beta 163.08576054 _cell_angle_gamma 24.00884492 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Cu4(P2O)2 _chemical_formula_sum 'Nd3 Cu4 P4 O2' _cell_volume 211.34821498 _cell_formula_units_Z 1 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 Nd Nd0 1 0.29521200 0.29521200 0.00000000 1.0 Nd Nd1 1 0.70478800 0.70478800 0.00000000 1.0 Nd Nd2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.59405600 0.09405600 0.50000000 1.0 Cu Cu4 1 0.40594400 0.90594400 0.50000000 1.0 Cu Cu5 1 0.09405600 0.59405600 0.50000000 1.0 Cu Cu6 1 0.90594400 0.40594400 0.50000000 1.0 P P7 1 0.45802700 0.45802700 0.00000000 1.0 P P8 1 0.54197300 0.54197300 0.00000000 1.0 P P9 1 0.14072100 0.14072100 0.00000000 1.0 P P10 1 0.85927900 0.85927900 0.00000000 1.0 O O11 1 0.75000000 0.25000000 0.50000000 1.0 O O12 1 0.25000000 0.75000000 0.50000000 1.0