# generated using pymatgen data_Sm6P12Ru5Rh13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94289747 _cell_length_b 11.23937086 _cell_length_c 12.63517369 _cell_angle_alpha 89.59291673 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6P12Ru5Rh13 _chemical_formula_sum 'Sm6 P12 Ru5 Rh13' _cell_volume 559.92226826 _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 Sm Sm0 1 0.00000000 0.49863376 0.52065051 1.0 Sm Sm1 1 0.50000000 0.00172563 0.47896629 1.0 Sm Sm2 1 0.50000000 0.81730383 0.20413361 1.0 Sm Sm3 1 0.50000000 0.18038130 0.20408613 1.0 Sm Sm4 1 0.00000000 0.68143101 0.79599638 1.0 Sm Sm5 1 0.00000000 0.31951304 0.79658037 1.0 P P6 1 0.50000000 0.49841588 0.88502945 1.0 P P7 1 0.00000000 0.99838283 0.11702146 1.0 P P8 1 0.50000000 0.49916455 0.34399538 1.0 P P9 1 0.00000000 0.00054650 0.65522893 1.0 P P10 1 0.50000000 0.31200469 0.61870587 1.0 P P11 1 0.50000000 0.68710421 0.61823095 1.0 P P12 1 0.00000000 0.18856102 0.38155092 1.0 P P13 1 0.00000000 0.81291541 0.38232114 1.0 P P14 1 0.50000000 0.84950583 0.89125895 1.0 P P15 1 0.50000000 0.15719429 0.89666011 1.0 P P16 1 0.00000000 0.65134663 0.10834009 1.0 P P17 1 0.00000000 0.34305464 0.10121773 1.0 Ru Ru18 1 0.50000000 0.50983033 0.16091022 1.0 Ru Ru19 1 0.00000000 0.99228157 0.83804222 1.0 Ru Ru20 1 0.00000000 0.50258794 0.99142809 1.0 Ru Ru21 1 0.50000000 0.99825471 0.00894147 1.0 Ru Ru22 1 0.50000000 0.33322046 0.99580108 1.0 Rh Rh23 1 0.50000000 0.49982345 0.70074002 1.0 Rh Rh24 1 0.00000000 0.00024603 0.29995190 1.0 Rh Rh25 1 0.50000000 0.67101570 0.98608955 1.0 Rh Rh26 1 0.00000000 0.16378233 0.00617534 1.0 Rh Rh27 1 0.00000000 0.83023948 0.01307463 1.0 Rh Rh28 1 0.50000000 0.29528449 0.42919526 1.0 Rh Rh29 1 0.50000000 0.70668760 0.43046539 1.0 Rh Rh30 1 0.00000000 0.20547059 0.57047496 1.0 Rh Rh31 1 0.00000000 0.79370110 0.56987473 1.0 Rh Rh32 1 0.50000000 0.87565143 0.70970484 1.0 Rh Rh33 1 0.50000000 0.12404919 0.71490967 1.0 Rh Rh34 1 0.00000000 0.62459119 0.29056846 1.0 Rh Rh35 1 0.00000000 0.37609735 0.28367988 1.0