# generated using pymatgen data_Ta12Tc11B12Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15514154 _cell_length_b 9.01070130 _cell_length_c 15.64465688 _cell_angle_alpha 89.97144952 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12Tc11B12Os _chemical_formula_sum 'Ta12 Tc11 B12 Os1' _cell_volume 444.77813462 _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 0.80682112 0.49352086 1.0 Ta Ta1 1 0.00000000 0.19327389 0.50695964 1.0 Ta Ta2 1 0.00000000 0.30669553 0.00679363 1.0 Ta Ta3 1 0.00000000 0.69313186 0.99297537 1.0 Ta Ta4 1 0.00000000 0.51765437 0.59571392 1.0 Ta Ta5 1 0.00000000 0.48320054 0.40438208 1.0 Ta Ta6 1 0.00000000 0.01749266 0.90408630 1.0 Ta Ta7 1 0.00000000 0.98303148 0.09490368 1.0 Ta Ta8 1 0.00000000 0.67681465 0.20711778 1.0 Ta Ta9 1 0.00000000 0.32130429 0.79265883 1.0 Ta Ta10 1 0.00000000 0.18140421 0.29328026 1.0 Ta Ta11 1 0.00000000 0.82131093 0.70739289 1.0 Tc Tc12 1 0.50000000 0.71747899 0.35838472 1.0 Tc Tc13 1 0.50000000 0.28305154 0.64158222 1.0 Tc Tc14 1 0.50000000 0.21573753 0.14166403 1.0 Tc Tc15 1 0.50000000 0.78266903 0.85829625 1.0 Tc Tc16 1 0.50000000 0.51895780 0.09534919 1.0 Tc Tc17 1 0.50000000 0.48118687 0.90584425 1.0 Tc Tc18 1 0.50000000 0.01900598 0.40431719 1.0 Tc Tc19 1 0.50000000 0.98134778 0.59415781 1.0 Tc Tc20 1 0.50000000 0.56885792 0.73253571 1.0 Tc Tc21 1 0.50000000 0.43081492 0.26760345 1.0 Tc Tc22 1 0.50000000 0.06897983 0.76738586 1.0 B B23 1 0.50000000 0.60483744 0.49387893 1.0 B B24 1 0.50000000 0.39543791 0.50631947 1.0 B B25 1 0.50000000 0.10481792 0.00567001 1.0 B B26 1 0.50000000 0.89540661 0.99367537 1.0 B B27 1 0.00000000 0.60980591 0.83227773 1.0 B B28 1 0.00000000 0.38905522 0.16742442 1.0 B B29 1 0.00000000 0.11023689 0.66769210 1.0 B B30 1 0.00000000 0.88917082 0.33382501 1.0 B B31 1 0.50000000 0.71779581 0.60288947 1.0 B B32 1 0.50000000 0.28293522 0.39737183 1.0 B B33 1 0.50000000 0.21771974 0.89731059 1.0 B B34 1 0.50000000 0.78174210 0.10246228 1.0 Os Os35 1 0.50000000 0.93081368 0.23229684 1.0