# generated using pymatgen data_Nd5P12Pd3Ru16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.62901017 _cell_length_b 12.62901017 _cell_length_c 4.00243559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000772 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5P12Pd3Ru16 _chemical_formula_sum 'Nd5 P12 Pd3 Ru16' _cell_volume 552.83251221 _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 1.00000000 0.18130670 0.50000000 1.0 Nd Nd1 1 0.81869330 0.81869330 0.50000000 1.0 Nd Nd2 1 0.18130670 1.00000000 0.50000000 1.0 Nd Nd3 1 0.66666700 0.33333300 0.00000000 1.0 Nd Nd4 1 0.33333300 0.66666700 0.00000000 1.0 P P5 1 1.00000000 0.81063607 0.00000000 1.0 P P6 1 0.18936393 0.18936393 0.00000000 1.0 P P7 1 0.81063607 1.00000000 0.00000000 1.0 P P8 1 0.70138040 0.17910044 0.50000000 1.0 P P9 1 0.82089956 0.52227996 0.50000000 1.0 P P10 1 0.47772004 0.29861960 0.50000000 1.0 P P11 1 0.17910044 0.70138040 0.50000000 1.0 P P12 1 0.52227996 0.82089956 0.50000000 1.0 P P13 1 0.29861960 0.47772004 0.50000000 1.0 P P14 1 0.00000000 0.36900590 0.00000000 1.0 P P15 1 0.63099410 0.63099410 0.00000000 1.0 P P16 1 0.36900590 0.00000000 0.00000000 1.0 Pd Pd17 1 1.00000000 0.55318565 0.00000000 1.0 Pd Pd18 1 0.44681435 0.44681435 0.00000000 1.0 Pd Pd19 1 0.55318565 1.00000000 0.00000000 1.0 Ru Ru20 1 1.00000000 0.71028619 0.50000000 1.0 Ru Ru21 1 0.28971381 0.28971381 0.50000000 1.0 Ru Ru22 1 0.71028619 1.00000000 0.50000000 1.0 Ru Ru23 1 0.80581613 0.18589996 0.00000000 1.0 Ru Ru24 1 0.81410004 0.61991617 0.00000000 1.0 Ru Ru25 1 0.38008383 0.19418387 0.00000000 1.0 Ru Ru26 1 0.18589996 0.80581613 0.00000000 1.0 Ru Ru27 1 0.61991617 0.81410004 0.00000000 1.0 Ru Ru28 1 0.19418387 0.38008383 0.00000000 1.0 Ru Ru29 1 0.87756668 0.36978287 0.50000000 1.0 Ru Ru30 1 0.63021713 0.50778382 0.50000000 1.0 Ru Ru31 1 0.49221618 0.12243332 0.50000000 1.0 Ru Ru32 1 0.36978287 0.87756668 0.50000000 1.0 Ru Ru33 1 0.50778382 0.63021713 0.50000000 1.0 Ru Ru34 1 0.12243332 0.49221618 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0