# generated using pymatgen data_Ta12B12IrOs11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09132768 _cell_length_b 9.06117772 _cell_length_c 15.78174390 _cell_angle_alpha 89.50167143 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12B12IrOs11 _chemical_formula_sum 'Ta12 B12 Ir1 Os11' _cell_volume 442.04680512 _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 Ta Ta0 1 0.00000000 0.80114737 0.49526671 1.0 Ta Ta1 1 0.00000000 0.20435219 0.50514754 1.0 Ta Ta2 1 0.00000000 0.29557957 0.00512846 1.0 Ta Ta3 1 0.00000000 0.69656368 0.99288453 1.0 Ta Ta4 1 0.00000000 0.51643724 0.59325924 1.0 Ta Ta5 1 0.00000000 0.48840175 0.40585255 1.0 Ta Ta6 1 0.00000000 0.01285651 0.90814045 1.0 Ta Ta7 1 0.00000000 0.97735608 0.09499813 1.0 Ta Ta8 1 0.00000000 0.69254167 0.19960156 1.0 Ta Ta9 1 0.00000000 0.30914782 0.79734643 1.0 Ta Ta10 1 0.00000000 0.19485542 0.29910603 1.0 Ta Ta11 1 0.00000000 0.81106392 0.70228411 1.0 B B12 1 0.50000000 0.60727228 0.49711335 1.0 B B13 1 0.50000000 0.39817681 0.50205407 1.0 B B14 1 0.50000000 0.10040404 0.00454301 1.0 B B15 1 0.50000000 0.89152022 0.99850039 1.0 B B16 1 0.00000000 0.60739362 0.83161499 1.0 B B17 1 0.00000000 0.38992375 0.16742250 1.0 B B18 1 0.00000000 0.10809711 0.66814489 1.0 B B19 1 0.00000000 0.89548313 0.33392508 1.0 B B20 1 0.50000000 0.71507612 0.59731897 1.0 B B21 1 0.50000000 0.28844027 0.40264518 1.0 B B22 1 0.50000000 0.21125669 0.90265558 1.0 B B23 1 0.50000000 0.77452681 0.09216400 1.0 Ir Ir24 1 0.50000000 0.95268335 0.23978201 1.0 Os Os25 1 0.50000000 0.72308563 0.35346439 1.0 Os Os26 1 0.50000000 0.28041629 0.64486107 1.0 Os Os27 1 0.50000000 0.21781509 0.14595618 1.0 Os Os28 1 0.50000000 0.77822013 0.85350942 1.0 Os Os29 1 0.50000000 0.51281292 0.09167041 1.0 Os Os30 1 0.50000000 0.47926223 0.90451064 1.0 Os Os31 1 0.50000000 0.02000866 0.40964498 1.0 Os Os32 1 0.50000000 0.98392338 0.59482292 1.0 Os Os33 1 0.50000000 0.55950190 0.73361209 1.0 Os Os34 1 0.50000000 0.44425302 0.26464671 1.0 Os Os35 1 0.50000000 0.06014131 0.76640242 1.0