# generated using pymatgen data_Nb6Ir2RuRh15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50816072 _cell_length_b 5.50145010 _cell_length_c 13.39793174 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.95970199 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Ir2RuRh15 _chemical_formula_sum 'Nb6 Ir2 Ru1 Rh15' _cell_volume 351.74536628 _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 Nb Nb0 1 0.00096359 0.00048130 0.25000000 1.0 Nb Nb1 1 0.99860825 0.99930413 0.75000000 1.0 Nb Nb2 1 0.33108546 0.66554323 0.40925319 1.0 Nb Nb3 1 0.66688515 0.33344307 0.58952138 1.0 Nb Nb4 1 0.66688515 0.33344307 0.91047862 1.0 Nb Nb5 1 0.33108546 0.66554323 0.09074681 1.0 Ir Ir6 1 0.50586099 0.49630377 0.25000000 1.0 Ir Ir7 1 0.50586099 0.00955922 0.25000000 1.0 Ru Ru8 1 0.99219545 0.49609773 0.25000000 1.0 Rh Rh9 1 0.49471930 0.50371314 0.75000000 1.0 Rh Rh10 1 0.49471930 0.99100616 0.75000000 1.0 Rh Rh11 1 0.00808479 0.50404239 0.75000000 1.0 Rh Rh12 1 0.16548244 0.33091616 0.91747460 1.0 Rh Rh13 1 0.66816227 0.83408064 0.91699935 1.0 Rh Rh14 1 0.16548244 0.83456428 0.91747460 1.0 Rh Rh15 1 0.83552541 0.66944391 0.08256392 1.0 Rh Rh16 1 0.33134561 0.16567281 0.08247899 1.0 Rh Rh17 1 0.83552541 0.16608150 0.08256392 1.0 Rh Rh18 1 0.83552541 0.66944391 0.41743608 1.0 Rh Rh19 1 0.33134561 0.16567281 0.41752101 1.0 Rh Rh20 1 0.83552541 0.16608150 0.41743608 1.0 Rh Rh21 1 0.16548244 0.33091616 0.58252540 1.0 Rh Rh22 1 0.66816227 0.83408064 0.58300065 1.0 Rh Rh23 1 0.16548244 0.83456428 0.58252540 1.0