# generated using pymatgen data_Nd6Cr5P12Rh13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91678076 _cell_length_b 11.25632289 _cell_length_c 12.90308110 _cell_angle_alpha 90.00584526 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Cr5P12Rh13 _chemical_formula_sum 'Nd6 Cr5 P12 Rh13' _cell_volume 568.87811918 _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 0.00000000 0.50118812 0.52082300 1.0 Nd Nd1 1 0.50000000 0.99855820 0.47949532 1.0 Nd Nd2 1 0.50000000 0.81977260 0.20329510 1.0 Nd Nd3 1 0.50000000 0.17816519 0.20654623 1.0 Nd Nd4 1 0.00000000 0.67942817 0.79543819 1.0 Nd Nd5 1 0.00000000 0.32167820 0.79307792 1.0 Cr Cr6 1 0.50000000 0.50005055 0.16108991 1.0 Cr Cr7 1 0.00000000 0.00029953 0.83842763 1.0 Cr Cr8 1 0.00000000 0.49881714 0.99163874 1.0 Cr Cr9 1 0.50000000 0.00186246 0.01034076 1.0 Cr Cr10 1 0.50000000 0.33217079 0.99857244 1.0 P P11 1 0.50000000 0.49590055 0.88597164 1.0 P P12 1 0.00000000 0.00087680 0.11553729 1.0 P P13 1 0.50000000 0.50041858 0.34788165 1.0 P P14 1 0.00000000 0.99929549 0.65175635 1.0 P P15 1 0.50000000 0.31051861 0.61563498 1.0 P P16 1 0.50000000 0.68899543 0.61627378 1.0 P P17 1 0.00000000 0.18948482 0.38408371 1.0 P P18 1 0.00000000 0.81077562 0.38281170 1.0 P P19 1 0.50000000 0.84645809 0.89342168 1.0 P P20 1 0.50000000 0.15688505 0.89126653 1.0 P P21 1 0.00000000 0.65259749 0.10551802 1.0 P P22 1 0.00000000 0.34779428 0.10921722 1.0 Rh Rh23 1 0.50000000 0.49975554 0.70082412 1.0 Rh Rh24 1 0.00000000 0.00095290 0.29938371 1.0 Rh Rh25 1 0.50000000 0.66254303 0.99683879 1.0 Rh Rh26 1 0.00000000 0.16855845 0.00326777 1.0 Rh Rh27 1 0.00000000 0.83657706 0.00285163 1.0 Rh Rh28 1 0.50000000 0.29314439 0.43055133 1.0 Rh Rh29 1 0.50000000 0.70712338 0.42956079 1.0 Rh Rh30 1 0.00000000 0.20675506 0.56913844 1.0 Rh Rh31 1 0.00000000 0.79214281 0.56933164 1.0 Rh Rh32 1 0.50000000 0.87518626 0.71051278 1.0 Rh Rh33 1 0.50000000 0.12327541 0.70904671 1.0 Rh Rh34 1 0.00000000 0.62468488 0.28832047 1.0 Rh Rh35 1 0.00000000 0.37730705 0.29225200 1.0