# generated using pymatgen data_Nd6ScP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95730354 _cell_length_b 11.26827744 _cell_length_c 12.88979152 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6ScP12Rh17 _chemical_formula_sum 'Nd6 Sc1 P12 Rh17' _cell_volume 574.78150882 _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 0.50000000 0.52203844 1.0 Nd Nd1 1 0.50000000 0.00000000 0.47801491 1.0 Nd Nd2 1 0.50000000 0.81933185 0.20635669 1.0 Nd Nd3 1 0.50000000 0.18066815 0.20635669 1.0 Nd Nd4 1 0.00000000 0.68061209 0.79588529 1.0 Nd Nd5 1 0.00000000 0.31938791 0.79588529 1.0 Sc Sc6 1 0.50000000 0.50000000 0.15379154 1.0 P P7 1 0.50000000 0.50000000 0.88219713 1.0 P P8 1 0.00000000 0.00000000 0.11496036 1.0 P P9 1 0.50000000 0.50000000 0.35462654 1.0 P P10 1 0.00000000 0.00000000 0.65037258 1.0 P P11 1 0.50000000 0.31191599 0.61772705 1.0 P P12 1 0.50000000 0.68808401 0.61772705 1.0 P P13 1 0.00000000 0.18966847 0.38500374 1.0 P P14 1 0.00000000 0.81033153 0.38500374 1.0 P P15 1 0.50000000 0.84854292 0.89026645 1.0 P P16 1 0.50000000 0.15145708 0.89026645 1.0 P P17 1 0.00000000 0.65937394 0.10595281 1.0 P P18 1 0.00000000 0.34062606 0.10595281 1.0 Rh Rh19 1 0.00000000 0.00000000 0.82821174 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70271531 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29610662 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98847212 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01341783 1.0 Rh Rh24 1 0.50000000 0.32988313 0.99009556 1.0 Rh Rh25 1 0.50000000 0.67011687 0.99009556 1.0 Rh Rh26 1 0.00000000 0.16468958 0.00529396 1.0 Rh Rh27 1 0.00000000 0.83531042 0.00529396 1.0 Rh Rh28 1 0.50000000 0.28915614 0.43433553 1.0 Rh Rh29 1 0.50000000 0.71084386 0.43433553 1.0 Rh Rh30 1 0.00000000 0.20263694 0.57270222 1.0 Rh Rh31 1 0.00000000 0.79736306 0.57270222 1.0 Rh Rh32 1 0.50000000 0.87596735 0.71123345 1.0 Rh Rh33 1 0.50000000 0.12403265 0.71123345 1.0 Rh Rh34 1 0.00000000 0.62521044 0.29268470 1.0 Rh Rh35 1 0.00000000 0.37478956 0.29268470 1.0