# generated using pymatgen data_TmTiReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50957247 _cell_length_b 8.83467043 _cell_length_c 11.17795318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmTiReB6 _chemical_formula_sum 'Tm4 Ti4 Re4 B24' _cell_volume 346.58267856 _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 0.32047164 0.41401301 1.0 Tm Tm1 1 0.00000000 0.67952836 0.58598699 1.0 Tm Tm2 1 0.00000000 0.82047164 0.08598699 1.0 Tm Tm3 1 0.00000000 0.17952836 0.91401301 1.0 Ti Ti4 1 0.00000000 0.94662782 0.37321975 1.0 Ti Ti5 1 0.00000000 0.05337218 0.62678025 1.0 Ti Ti6 1 0.00000000 0.44662782 0.12678025 1.0 Ti Ti7 1 0.00000000 0.55337218 0.87321975 1.0 Re Re8 1 0.00000000 0.64270847 0.31640868 1.0 Re Re9 1 0.00000000 0.35729153 0.68359132 1.0 Re Re10 1 0.00000000 0.14270847 0.18359132 1.0 Re Re11 1 0.00000000 0.85729153 0.81640868 1.0 B B12 1 0.50000000 0.55475226 0.43339238 1.0 B B13 1 0.50000000 0.44524774 0.56660762 1.0 B B14 1 0.50000000 0.05475226 0.06660762 1.0 B B15 1 0.50000000 0.94524774 0.93339238 1.0 B B16 1 0.50000000 0.75621740 0.41822388 1.0 B B17 1 0.50000000 0.24378260 0.58177612 1.0 B B18 1 0.50000000 0.25621740 0.08177612 1.0 B B19 1 0.50000000 0.74378260 0.91822388 1.0 B B20 1 0.50000000 0.79729606 0.26340594 1.0 B B21 1 0.50000000 0.20270394 0.73659406 1.0 B B22 1 0.50000000 0.29729606 0.23659406 1.0 B B23 1 0.50000000 0.70270394 0.76340594 1.0 B B24 1 0.50000000 0.62879052 0.18035633 1.0 B B25 1 0.50000000 0.37120948 0.81964367 1.0 B B26 1 0.50000000 0.12879052 0.31964367 1.0 B B27 1 0.50000000 0.87120948 0.68035633 1.0 B B28 1 0.50000000 0.98103891 0.21433513 1.0 B B29 1 0.50000000 0.01896109 0.78566487 1.0 B B30 1 0.50000000 0.48103891 0.28566487 1.0 B B31 1 0.50000000 0.51896109 0.71433513 1.0 B B32 1 0.50000000 0.59706191 0.02553431 1.0 B B33 1 0.50000000 0.40293809 0.97446569 1.0 B B34 1 0.50000000 0.09706191 0.47446569 1.0 B B35 1 0.50000000 0.90293809 0.52553431 1.0