# generated using pymatgen data_Nd3P6Ru8Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00306360 _cell_length_b 11.22926702 _cell_length_c 12.63594640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3P6Ru8Rh _chemical_formula_sum 'Nd6 P12 Ru16 Rh2' _cell_volume 568.00436637 _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 0.00000000 0.50000000 0.52627812 1.0 Nd Nd1 1 0.50000000 0.00000000 0.47372188 1.0 Nd Nd2 1 0.50000000 0.81866261 0.20544122 1.0 Nd Nd3 1 0.50000000 0.18133739 0.20544122 1.0 Nd Nd4 1 0.00000000 0.68133739 0.79455878 1.0 Nd Nd5 1 0.00000000 0.31866261 0.79455878 1.0 P P6 1 0.50000000 0.50000000 0.88753603 1.0 P P7 1 0.00000000 0.00000000 0.11246397 1.0 P P8 1 0.50000000 0.50000000 0.33554994 1.0 P P9 1 0.00000000 0.00000000 0.66445006 1.0 P P10 1 0.50000000 0.29641103 0.61413430 1.0 P P11 1 0.50000000 0.70358897 0.61413430 1.0 P P12 1 0.00000000 0.20358897 0.38586570 1.0 P P13 1 0.00000000 0.79641103 0.38586570 1.0 P P14 1 0.50000000 0.84590530 0.89688762 1.0 P P15 1 0.50000000 0.15409470 0.89688762 1.0 P P16 1 0.00000000 0.65409470 0.10311238 1.0 P P17 1 0.00000000 0.34590530 0.10311238 1.0 Ru Ru18 1 0.50000000 0.50000000 0.15498698 1.0 Ru Ru19 1 0.00000000 0.00000000 0.84501302 1.0 Ru Ru20 1 0.00000000 0.50000000 0.98885690 1.0 Ru Ru21 1 0.50000000 0.00000000 0.01114310 1.0 Ru Ru22 1 0.50000000 0.33137373 0.99190751 1.0 Ru Ru23 1 0.50000000 0.66862627 0.99190751 1.0 Ru Ru24 1 0.00000000 0.16862627 0.00809249 1.0 Ru Ru25 1 0.00000000 0.83137373 0.00809249 1.0 Ru Ru26 1 0.50000000 0.30047365 0.42911149 1.0 Ru Ru27 1 0.50000000 0.69952635 0.42911149 1.0 Ru Ru28 1 0.00000000 0.19952635 0.57088851 1.0 Ru Ru29 1 0.00000000 0.80047365 0.57088851 1.0 Ru Ru30 1 0.50000000 0.87980753 0.71546648 1.0 Ru Ru31 1 0.50000000 0.12019247 0.71546648 1.0 Ru Ru32 1 0.00000000 0.62019247 0.28453352 1.0 Ru Ru33 1 0.00000000 0.37980753 0.28453352 1.0 Rh Rh34 1 0.50000000 0.50000000 0.69592279 1.0 Rh Rh35 1 0.00000000 0.00000000 0.30407721 1.0