# generated using pymatgen data_Ta3B3Os2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09758295 _cell_length_b 9.04310598 _cell_length_c 15.69535451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3B3Os2Ru _chemical_formula_sum 'Ta12 B12 Os8 Ru4' _cell_volume 439.65467536 _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 0.79954575 0.49526169 1.0 Ta Ta1 1 0.00000000 0.20045425 0.50473831 1.0 Ta Ta2 1 0.00000000 0.29954575 0.00473831 1.0 Ta Ta3 1 0.00000000 0.70045425 0.99526169 1.0 Ta Ta4 1 0.00000000 0.51631970 0.59384989 1.0 Ta Ta5 1 0.00000000 0.48368030 0.40615011 1.0 Ta Ta6 1 0.00000000 0.01631970 0.90615011 1.0 Ta Ta7 1 0.00000000 0.98368030 0.09384989 1.0 Ta Ta8 1 0.00000000 0.68881471 0.20284797 1.0 Ta Ta9 1 0.00000000 0.31118529 0.79715203 1.0 Ta Ta10 1 0.00000000 0.18881471 0.29715203 1.0 Ta Ta11 1 0.00000000 0.81118529 0.70284797 1.0 B B12 1 0.50000000 0.60475809 0.49712765 1.0 B B13 1 0.50000000 0.39524191 0.50287235 1.0 B B14 1 0.50000000 0.10475809 0.00287235 1.0 B B15 1 0.50000000 0.89524191 0.99712765 1.0 B B16 1 0.00000000 0.60931255 0.83176115 1.0 B B17 1 0.00000000 0.39068745 0.16823885 1.0 B B18 1 0.00000000 0.10931255 0.66823885 1.0 B B19 1 0.00000000 0.89068745 0.33176115 1.0 B B20 1 0.50000000 0.71511997 0.59799610 1.0 B B21 1 0.50000000 0.28488003 0.40200390 1.0 B B22 1 0.50000000 0.21511997 0.90200390 1.0 B B23 1 0.50000000 0.78488003 0.09799610 1.0 Os Os24 1 0.50000000 0.71969661 0.35475396 1.0 Os Os25 1 0.50000000 0.28030339 0.64524604 1.0 Os Os26 1 0.50000000 0.21969661 0.14524604 1.0 Os Os27 1 0.50000000 0.78030339 0.85475396 1.0 Os Os28 1 0.50000000 0.51649186 0.09449280 1.0 Os Os29 1 0.50000000 0.48350814 0.90550720 1.0 Os Os30 1 0.50000000 0.01649186 0.40550720 1.0 Os Os31 1 0.50000000 0.98350814 0.59449280 1.0 Ru Ru32 1 0.50000000 0.56066968 0.73462986 1.0 Ru Ru33 1 0.50000000 0.43933032 0.26537014 1.0 Ru Ru34 1 0.50000000 0.06066968 0.76537014 1.0 Ru Ru35 1 0.50000000 0.93933032 0.23462986 1.0