# generated using pymatgen data_Nd5P3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.95911927 _cell_length_b 10.95911915 _cell_length_c 7.15090234 _cell_angle_alpha 83.72231820 _cell_angle_beta 83.72231755 _cell_angle_gamma 141.84724582 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5P3S2 _chemical_formula_sum 'Nd10 P6 S4' _cell_volume 499.98136877 _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 Nd Nd0 1 0.60361207 0.90110615 0.99727257 1.0 Nd Nd1 1 0.19370852 0.29616257 0.99970623 1.0 Nd Nd2 1 0.09889385 0.39638793 0.50272743 1.0 Nd Nd3 1 0.80629148 0.70383743 0.00029377 1.0 Nd Nd4 1 0.70383743 0.80629148 0.50029377 1.0 Nd Nd5 1 0.39638793 0.09889385 0.00272743 1.0 Nd Nd6 1 0.29616257 0.19370852 0.49970623 1.0 Nd Nd7 1 0.00000000 0.50000000 0.00000000 1.0 Nd Nd8 1 0.90110615 0.60361207 0.49727257 1.0 Nd Nd9 1 0.50000000 0.00000000 0.50000000 1.0 P P10 1 0.35005973 0.64994027 0.75000000 1.0 P P11 1 0.94980954 0.05019046 0.75000000 1.0 P P12 1 0.84969538 0.15030462 0.25000000 1.0 P P13 1 0.15030462 0.84969538 0.75000000 1.0 P P14 1 0.05019046 0.94980954 0.25000000 1.0 P P15 1 0.64994027 0.35005973 0.25000000 1.0 S S16 1 0.75002486 0.24997514 0.75000000 1.0 S S17 1 0.55041469 0.44958531 0.75000000 1.0 S S18 1 0.44958531 0.55041469 0.25000000 1.0 S S19 1 0.24997514 0.75002486 0.25000000 1.0