# generated using pymatgen data_Nb9IrOs5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90975433 _cell_length_b 9.92257035 _cell_length_c 5.08409662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.08521453 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb9IrOs5 _chemical_formula_sum 'Nb18 Ir2 Os10' _cell_volume 499.91986007 _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 Nb Nb0 1 0.89580518 0.89524068 0.49587119 1.0 Nb Nb1 1 0.10419482 0.10475932 0.49587119 1.0 Nb Nb2 1 0.60121187 0.39800851 0.00401588 1.0 Nb Nb3 1 0.39878813 0.60199149 0.00401588 1.0 Nb Nb4 1 0.62939694 0.96033342 0.49973962 1.0 Nb Nb5 1 0.37060306 0.03966658 0.49973962 1.0 Nb Nb6 1 0.87048028 0.46606119 0.99476698 1.0 Nb Nb7 1 0.12951972 0.53393881 0.99476698 1.0 Nb Nb8 1 0.03856549 0.37192440 0.49823155 1.0 Nb Nb9 1 0.96143451 0.62807560 0.49823155 1.0 Nb Nb10 1 0.53449132 0.12825575 0.99625089 1.0 Nb Nb11 1 0.46550868 0.87174425 0.99625089 1.0 Nb Nb12 1 0.81921820 0.18183309 0.24982856 1.0 Nb Nb13 1 0.18078180 0.81816691 0.24982856 1.0 Nb Nb14 1 0.31917932 0.32061949 0.25159342 1.0 Nb Nb15 1 0.68082068 0.67938051 0.25159342 1.0 Nb Nb16 1 0.17987965 0.81814197 0.74986134 1.0 Nb Nb17 1 0.82012035 0.18185803 0.74986134 1.0 Ir Ir18 1 0.56514093 0.24104163 0.49888029 1.0 Ir Ir19 1 0.43485907 0.75895837 0.49888029 1.0 Os Os20 1 0.50000000 0.50000000 0.52770578 1.0 Os Os21 1 0.00000000 0.00000000 0.99813416 1.0 Os Os22 1 0.92801416 0.74187301 0.99663114 1.0 Os Os23 1 0.07198584 0.25812699 0.99663114 1.0 Os Os24 1 0.75642071 0.43461117 0.49870287 1.0 Os Os25 1 0.24357929 0.56538883 0.49870287 1.0 Os Os26 1 0.25938460 0.07064105 0.99736963 1.0 Os Os27 1 0.74061540 0.92935895 0.99736963 1.0 Os Os28 1 0.67970564 0.67951341 0.75533617 1.0 Os Os29 1 0.32029436 0.32048659 0.75533617 1.0