# generated using pymatgen data_TmTaFeB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32168008 _cell_length_b 8.84353123 _cell_length_c 11.14035366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmTaFeB6 _chemical_formula_sum 'Tm4 Ta4 Fe4 B24' _cell_volume 327.25213928 _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 Tm Tm0 1 0.00000000 0.82338130 0.08638759 1.0 Tm Tm1 1 0.00000000 0.17661870 0.91361241 1.0 Tm Tm2 1 0.00000000 0.32338130 0.41361241 1.0 Tm Tm3 1 0.00000000 0.67661870 0.58638759 1.0 Ta Ta4 1 0.00000000 0.44517109 0.12793130 1.0 Ta Ta5 1 0.00000000 0.55482891 0.87206870 1.0 Ta Ta6 1 0.00000000 0.94517109 0.37206870 1.0 Ta Ta7 1 0.00000000 0.05482891 0.62793130 1.0 Fe Fe8 1 0.00000000 0.14421465 0.18281366 1.0 Fe Fe9 1 0.00000000 0.85578535 0.81718634 1.0 Fe Fe10 1 0.00000000 0.64421465 0.31718634 1.0 Fe Fe11 1 0.00000000 0.35578535 0.68281366 1.0 B B12 1 0.50000000 0.05483578 0.06710450 1.0 B B13 1 0.50000000 0.94516422 0.93289550 1.0 B B14 1 0.50000000 0.55483578 0.43289550 1.0 B B15 1 0.50000000 0.44516422 0.56710450 1.0 B B16 1 0.50000000 0.25186204 0.08273025 1.0 B B17 1 0.50000000 0.74813796 0.91726975 1.0 B B18 1 0.50000000 0.75186204 0.41726975 1.0 B B19 1 0.50000000 0.24813796 0.58273025 1.0 B B20 1 0.50000000 0.29727314 0.23698647 1.0 B B21 1 0.50000000 0.70272686 0.76301353 1.0 B B22 1 0.50000000 0.79727314 0.26301353 1.0 B B23 1 0.50000000 0.20272686 0.73698647 1.0 B B24 1 0.50000000 0.13080814 0.31702547 1.0 B B25 1 0.50000000 0.86919186 0.68297453 1.0 B B26 1 0.50000000 0.63080814 0.18297453 1.0 B B27 1 0.50000000 0.36919186 0.81702547 1.0 B B28 1 0.50000000 0.48281708 0.28740509 1.0 B B29 1 0.50000000 0.51718292 0.71259491 1.0 B B30 1 0.50000000 0.98281708 0.21259491 1.0 B B31 1 0.50000000 0.01718292 0.78740509 1.0 B B32 1 0.50000000 0.10105171 0.47340021 1.0 B B33 1 0.50000000 0.89894829 0.52659979 1.0 B B34 1 0.50000000 0.60105171 0.02659979 1.0 B B35 1 0.50000000 0.39894829 0.97340021 1.0