# generated using pymatgen data_Ta2Nb(BOs)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09098280 _cell_length_b 9.08361643 _cell_length_c 15.78455396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Nb(BOs)3 _chemical_formula_sum 'Ta8 Nb4 B12 Os12' _cell_volume 443.18769031 _cell_formula_units_Z 4 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 0.79948312 0.49535572 1.0 Ta Ta1 1 0.00000000 0.20051688 0.50464428 1.0 Ta Ta2 1 0.00000000 0.29948312 0.00464428 1.0 Ta Ta3 1 0.00000000 0.70051688 0.99535572 1.0 Ta Ta4 1 0.00000000 0.51517476 0.59402574 1.0 Ta Ta5 1 0.00000000 0.48482524 0.40597426 1.0 Ta Ta6 1 0.00000000 0.01517476 0.90597426 1.0 Ta Ta7 1 0.00000000 0.98482524 0.09402574 1.0 Nb Nb8 1 0.00000000 0.68962777 0.20180957 1.0 Nb Nb9 1 0.00000000 0.31037223 0.79819043 1.0 Nb Nb10 1 0.00000000 0.18962777 0.29819043 1.0 Nb Nb11 1 0.00000000 0.81037223 0.70180957 1.0 B B12 1 0.50000000 0.60451379 0.49737028 1.0 B B13 1 0.50000000 0.39548621 0.50262972 1.0 B B14 1 0.50000000 0.10451379 0.00262972 1.0 B B15 1 0.50000000 0.89548621 0.99737028 1.0 B B16 1 0.00000000 0.60801811 0.83245112 1.0 B B17 1 0.00000000 0.39198189 0.16754888 1.0 B B18 1 0.00000000 0.10801811 0.66754888 1.0 B B19 1 0.00000000 0.89198189 0.33245112 1.0 B B20 1 0.50000000 0.71429759 0.59666837 1.0 B B21 1 0.50000000 0.28570241 0.40333163 1.0 B B22 1 0.50000000 0.21429759 0.90333163 1.0 B B23 1 0.50000000 0.78570241 0.09666837 1.0 Os Os24 1 0.50000000 0.72077309 0.35616650 1.0 Os Os25 1 0.50000000 0.27922691 0.64383350 1.0 Os Os26 1 0.50000000 0.22077309 0.14383350 1.0 Os Os27 1 0.50000000 0.77922691 0.85616650 1.0 Os Os28 1 0.50000000 0.51587091 0.09329551 1.0 Os Os29 1 0.50000000 0.48412909 0.90670449 1.0 Os Os30 1 0.50000000 0.01587091 0.40670449 1.0 Os Os31 1 0.50000000 0.98412909 0.59329551 1.0 Os Os32 1 0.50000000 0.55886565 0.73511740 1.0 Os Os33 1 0.50000000 0.44113435 0.26488260 1.0 Os Os34 1 0.50000000 0.05886565 0.76488260 1.0 Os Os35 1 0.50000000 0.94113435 0.23511740 1.0