# generated using pymatgen data_Nd5P12Ru13Rh6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.60047476 _cell_length_b 12.60047469 _cell_length_c 3.98257383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999759 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5P12Ru13Rh6 _chemical_formula_sum 'Nd5 P12 Ru13 Rh6' _cell_volume 547.60611941 _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 0.18252332 0.18278870 0.50000000 1.0 Nd Nd1 1 0.81721130 0.99973562 0.50000000 1.0 Nd Nd2 1 0.00026438 0.81747668 0.50000000 1.0 Nd Nd3 1 0.33333300 0.66666700 0.00000000 1.0 Nd Nd4 1 0.66666700 0.33333300 0.00000000 1.0 P P5 1 0.81439612 0.81144457 0.00000000 1.0 P P6 1 0.18855543 0.00295155 0.00000000 1.0 P P7 1 0.99704845 0.18560388 0.00000000 1.0 P P8 1 0.17096770 0.48043290 0.50000000 1.0 P P9 1 0.51956710 0.69053480 0.50000000 1.0 P P10 1 0.30946520 0.82903230 0.50000000 1.0 P P11 1 0.69802371 0.52225607 0.50000000 1.0 P P12 1 0.82423136 0.30197629 0.50000000 1.0 P P13 1 0.47774393 0.17576864 0.50000000 1.0 P P14 1 0.37454490 0.37065598 0.00000000 1.0 P P15 1 0.62934402 0.00388792 0.00000000 1.0 P P16 1 0.99611208 0.62545510 0.00000000 1.0 Ru Ru17 1 0.71109844 0.71221263 0.50000000 1.0 Ru Ru18 1 0.28778737 0.99888581 0.50000000 1.0 Ru Ru19 1 0.00111419 0.28890156 0.50000000 1.0 Ru Ru20 1 0.80246333 0.61934391 0.00000000 1.0 Ru Ru21 1 0.81687958 0.19753667 0.00000000 1.0 Ru Ru22 1 0.38065609 0.18312042 0.00000000 1.0 Ru Ru23 1 0.36191913 0.48829115 0.50000000 1.0 Ru Ru24 1 0.51170885 0.87362698 0.50000000 1.0 Ru Ru25 1 0.12637302 0.63808087 0.50000000 1.0 Ru Ru26 1 0.87820726 0.50882205 0.50000000 1.0 Ru Ru27 1 0.63061479 0.12179274 0.50000000 1.0 Ru Ru28 1 0.49117795 0.36938521 0.50000000 1.0 Ru Ru29 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh30 1 0.54816951 0.55531840 0.00000000 1.0 Rh Rh31 1 0.44468160 0.99285111 0.00000000 1.0 Rh Rh32 1 0.00714889 0.45183049 0.00000000 1.0 Rh Rh33 1 0.18456670 0.37646649 0.00000000 1.0 Rh Rh34 1 0.62353351 0.80810020 0.00000000 1.0 Rh Rh35 1 0.19189980 0.81543330 0.00000000 1.0