# generated using pymatgen data_Ta4B4Os3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10824984 _cell_length_b 9.03231085 _cell_length_c 15.68378020 _cell_angle_alpha 89.95688019 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4B4Os3Ru _chemical_formula_sum 'Ta12 B12 Os9 Ru3' _cell_volume 440.31696573 _cell_formula_units_Z 3 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 0.79935192 0.49532348 1.0 Ta Ta1 1 0.00000000 0.20044375 0.50439415 1.0 Ta Ta2 1 0.00000000 0.29948287 0.00507123 1.0 Ta Ta3 1 0.00000000 0.70099779 0.99570710 1.0 Ta Ta4 1 0.00000000 0.51552171 0.59296311 1.0 Ta Ta5 1 0.00000000 0.48379677 0.40547419 1.0 Ta Ta6 1 0.00000000 0.01657265 0.90623828 1.0 Ta Ta7 1 0.00000000 0.98411602 0.09413762 1.0 Ta Ta8 1 0.00000000 0.68883217 0.20326953 1.0 Ta Ta9 1 0.00000000 0.31091803 0.79706088 1.0 Ta Ta10 1 0.00000000 0.18859142 0.29671356 1.0 Ta Ta11 1 0.00000000 0.81212576 0.70294803 1.0 B B12 1 0.50000000 0.60427516 0.49624651 1.0 B B13 1 0.50000000 0.39510777 0.50221758 1.0 B B14 1 0.50000000 0.10454660 0.00324893 1.0 B B15 1 0.50000000 0.89595640 0.99717109 1.0 B B16 1 0.00000000 0.60902402 0.83249405 1.0 B B17 1 0.00000000 0.39142681 0.16866864 1.0 B B18 1 0.00000000 0.10850684 0.66876299 1.0 B B19 1 0.00000000 0.89125832 0.33133200 1.0 B B20 1 0.50000000 0.71430590 0.59789814 1.0 B B21 1 0.50000000 0.28480531 0.40150534 1.0 B B22 1 0.50000000 0.21515044 0.90213274 1.0 B B23 1 0.50000000 0.78539497 0.09838395 1.0 Os Os24 1 0.50000000 0.72004163 0.35488880 1.0 Os Os25 1 0.50000000 0.27948211 0.64474393 1.0 Os Os26 1 0.50000000 0.22010613 0.14517118 1.0 Os Os27 1 0.50000000 0.78071199 0.85556752 1.0 Os Os28 1 0.50000000 0.51680129 0.09489148 1.0 Os Os29 1 0.50000000 0.48328455 0.90610331 1.0 Os Os30 1 0.50000000 0.01647095 0.40515634 1.0 Os Os31 1 0.50000000 0.98336323 0.59460777 1.0 Os Os32 1 0.50000000 0.56100949 0.73422601 1.0 Ru Ru33 1 0.50000000 0.43845984 0.26534506 1.0 Ru Ru34 1 0.50000000 0.06105213 0.76535570 1.0 Ru Ru35 1 0.50000000 0.93870424 0.23457875 1.0