# generated using pymatgen data_Ta11Nb(BOs)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09200881 _cell_length_b 9.06530190 _cell_length_c 15.76601374 _cell_angle_alpha 90.08963321 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta11Nb(BOs)12 _chemical_formula_sum 'Ta11 Nb1 B12 Os12' _cell_volume 441.92071974 _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 0.80014320 0.49526295 1.0 Ta Ta1 1 0.00000000 0.20136490 0.50420092 1.0 Ta Ta2 1 0.00000000 0.29845546 0.00464129 1.0 Ta Ta3 1 0.00000000 0.70084346 0.99594483 1.0 Ta Ta4 1 0.00000000 0.51651860 0.59393092 1.0 Ta Ta5 1 0.00000000 0.48452406 0.40686624 1.0 Ta Ta6 1 0.00000000 0.01502328 0.90630273 1.0 Ta Ta7 1 0.00000000 0.98427644 0.09339818 1.0 Ta Ta8 1 0.00000000 0.68816508 0.20271635 1.0 Ta Ta9 1 0.00000000 0.31181456 0.79752349 1.0 Ta Ta10 1 0.00000000 0.18858849 0.29739096 1.0 Nb Nb11 1 0.00000000 0.81086711 0.70175120 1.0 B B12 1 0.50000000 0.60497614 0.49755380 1.0 B B13 1 0.50000000 0.39579047 0.50279997 1.0 B B14 1 0.50000000 0.10407976 0.00253634 1.0 B B15 1 0.50000000 0.89519209 0.99735438 1.0 B B16 1 0.00000000 0.60845911 0.83250260 1.0 B B17 1 0.00000000 0.39114344 0.16782962 1.0 B B18 1 0.00000000 0.10883178 0.66730708 1.0 B B19 1 0.00000000 0.89107314 0.33214221 1.0 B B20 1 0.50000000 0.71557358 0.59640454 1.0 B B21 1 0.50000000 0.28562991 0.40205383 1.0 B B22 1 0.50000000 0.21445926 0.90226545 1.0 B B23 1 0.50000000 0.78497678 0.09816015 1.0 Os Os24 1 0.50000000 0.72012293 0.35510678 1.0 Os Os25 1 0.50000000 0.28048302 0.64427332 1.0 Os Os26 1 0.50000000 0.21984045 0.14473231 1.0 Os Os27 1 0.50000000 0.77915388 0.85630553 1.0 Os Os28 1 0.50000000 0.51602091 0.09439881 1.0 Os Os29 1 0.50000000 0.48288281 0.90663099 1.0 Os Os30 1 0.50000000 0.01679246 0.40541585 1.0 Os Os31 1 0.50000000 0.98560197 0.59309711 1.0 Os Os32 1 0.50000000 0.55779737 0.73573352 1.0 Os Os33 1 0.50000000 0.43946838 0.26573336 1.0 Os Os34 1 0.50000000 0.06170592 0.76560655 1.0 Os Os35 1 0.50000000 0.93936084 0.23412487 1.0