# generated using pymatgen data_TmTiFeB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30222369 _cell_length_b 8.77290651 _cell_length_c 11.08269845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmTiFeB6 _chemical_formula_sum 'Tm4 Ti4 Fe4 B24' _cell_volume 321.06687952 _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 0.82166074 0.08575079 1.0 Tm Tm1 1 0.00000000 0.17833926 0.91424921 1.0 Tm Tm2 1 0.00000000 0.32166074 0.41424921 1.0 Tm Tm3 1 0.00000000 0.67833926 0.58575079 1.0 Ti Ti4 1 0.00000000 0.44518729 0.12665893 1.0 Ti Ti5 1 0.00000000 0.55481271 0.87334107 1.0 Ti Ti6 1 0.00000000 0.94518729 0.37334107 1.0 Ti Ti7 1 0.00000000 0.05481271 0.62665893 1.0 Fe Fe8 1 0.00000000 0.14444030 0.18380522 1.0 Fe Fe9 1 0.00000000 0.85555970 0.81619478 1.0 Fe Fe10 1 0.00000000 0.64444030 0.31619478 1.0 Fe Fe11 1 0.00000000 0.35555970 0.68380522 1.0 B B12 1 0.50000000 0.05603647 0.06798751 1.0 B B13 1 0.50000000 0.94396353 0.93201249 1.0 B B14 1 0.50000000 0.55603647 0.43201249 1.0 B B15 1 0.50000000 0.44396353 0.56798751 1.0 B B16 1 0.50000000 0.25418556 0.08320121 1.0 B B17 1 0.50000000 0.74581444 0.91679879 1.0 B B18 1 0.50000000 0.75418556 0.41679879 1.0 B B19 1 0.50000000 0.24581444 0.58320121 1.0 B B20 1 0.50000000 0.29625090 0.23581844 1.0 B B21 1 0.50000000 0.70374910 0.76418156 1.0 B B22 1 0.50000000 0.79625090 0.26418156 1.0 B B23 1 0.50000000 0.20374910 0.73581844 1.0 B B24 1 0.50000000 0.12940942 0.31771528 1.0 B B25 1 0.50000000 0.87059058 0.68228472 1.0 B B26 1 0.50000000 0.62940942 0.18228472 1.0 B B27 1 0.50000000 0.37059058 0.81771528 1.0 B B28 1 0.50000000 0.48377889 0.28597486 1.0 B B29 1 0.50000000 0.51622111 0.71402514 1.0 B B30 1 0.50000000 0.98377889 0.21402514 1.0 B B31 1 0.50000000 0.01622111 0.78597486 1.0 B B32 1 0.50000000 0.09792286 0.47415705 1.0 B B33 1 0.50000000 0.90207714 0.52584295 1.0 B B34 1 0.50000000 0.59792286 0.02584295 1.0 B B35 1 0.50000000 0.40207714 0.97415705 1.0