# generated using pymatgen data_TaV2(BOs)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00326712 _cell_length_b 8.83752604 _cell_length_c 15.29231822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaV2(BOs)3 _chemical_formula_sum 'Ta4 V8 B12 Os12' _cell_volume 405.88031975 _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 0.68596974 0.20183734 1.0 Ta Ta1 1 0.00000000 0.31403026 0.79816266 1.0 Ta Ta2 1 0.00000000 0.18596974 0.29816266 1.0 Ta Ta3 1 0.00000000 0.81403026 0.70183734 1.0 V V4 1 0.00000000 0.78902614 0.49732046 1.0 V V5 1 0.00000000 0.21097386 0.50267954 1.0 V V6 1 0.00000000 0.28902614 0.00267954 1.0 V V7 1 0.00000000 0.71097386 0.99732046 1.0 V V8 1 0.00000000 0.51858269 0.58882059 1.0 V V9 1 0.00000000 0.48141731 0.41117941 1.0 V V10 1 0.00000000 0.01858269 0.91117941 1.0 V V11 1 0.00000000 0.98141731 0.08882059 1.0 B B12 1 0.50000000 0.60294893 0.49547600 1.0 B B13 1 0.50000000 0.39705107 0.50452400 1.0 B B14 1 0.50000000 0.10294893 0.00452400 1.0 B B15 1 0.50000000 0.89705107 0.99547600 1.0 B B16 1 0.00000000 0.61033413 0.83476739 1.0 B B17 1 0.00000000 0.38966587 0.16523261 1.0 B B18 1 0.00000000 0.11033413 0.66523261 1.0 B B19 1 0.00000000 0.88966587 0.33476739 1.0 B B20 1 0.50000000 0.70972270 0.59474634 1.0 B B21 1 0.50000000 0.29027730 0.40525366 1.0 B B22 1 0.50000000 0.20972270 0.90525366 1.0 B B23 1 0.50000000 0.79027730 0.09474634 1.0 Os Os24 1 0.50000000 0.71420491 0.35928592 1.0 Os Os25 1 0.50000000 0.28579509 0.64071408 1.0 Os Os26 1 0.50000000 0.21420491 0.14071408 1.0 Os Os27 1 0.50000000 0.78579509 0.85928592 1.0 Os Os28 1 0.50000000 0.51870455 0.08957577 1.0 Os Os29 1 0.50000000 0.48129545 0.91042423 1.0 Os Os30 1 0.50000000 0.01870455 0.41042423 1.0 Os Os31 1 0.50000000 0.98129545 0.58957577 1.0 Os Os32 1 0.50000000 0.56145609 0.73074700 1.0 Os Os33 1 0.50000000 0.43854391 0.26925300 1.0 Os Os34 1 0.50000000 0.06145609 0.76925300 1.0 Os Os35 1 0.50000000 0.93854391 0.23074700 1.0