# generated using pymatgen data_Tm8B24IrRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60688550 _cell_length_b 9.05756035 _cell_length_c 11.40602895 _cell_angle_alpha 90.04520022 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8B24IrRu3 _chemical_formula_sum 'Tm8 B24 Ir1 Ru3' _cell_volume 372.63009446 _cell_formula_units_Z 1 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 0.31825903 0.41480783 1.0 Tm Tm1 1 0.00000000 0.67964256 0.58914949 1.0 Tm Tm2 1 0.00000000 0.82335153 0.08368752 1.0 Tm Tm3 1 0.00000000 0.17915721 0.91321171 1.0 Tm Tm4 1 0.00000000 0.94590896 0.37339287 1.0 Tm Tm5 1 0.00000000 0.05607262 0.62685461 1.0 Tm Tm6 1 0.00000000 0.44185495 0.12535543 1.0 Tm Tm7 1 0.00000000 0.55602853 0.87340198 1.0 B B8 1 0.50000000 0.55297185 0.43414961 1.0 B B9 1 0.50000000 0.44632463 0.56664098 1.0 B B10 1 0.50000000 0.05355409 0.06651260 1.0 B B11 1 0.50000000 0.94681720 0.93307354 1.0 B B12 1 0.50000000 0.74958912 0.42141612 1.0 B B13 1 0.50000000 0.25135569 0.57990104 1.0 B B14 1 0.50000000 0.24813230 0.07956618 1.0 B B15 1 0.50000000 0.75196375 0.92016629 1.0 B B16 1 0.50000000 0.79214970 0.26538316 1.0 B B17 1 0.50000000 0.20866816 0.73392188 1.0 B B18 1 0.50000000 0.29144199 0.23421982 1.0 B B19 1 0.50000000 0.70842072 0.76610947 1.0 B B20 1 0.50000000 0.63201062 0.18340983 1.0 B B21 1 0.50000000 0.36846422 0.81497526 1.0 B B22 1 0.50000000 0.13163431 0.31531761 1.0 B B23 1 0.50000000 0.86821333 0.68507624 1.0 B B24 1 0.50000000 0.98248196 0.21289793 1.0 B B25 1 0.50000000 0.01759631 0.78684597 1.0 B B26 1 0.50000000 0.48129770 0.28684370 1.0 B B27 1 0.50000000 0.51753782 0.71329230 1.0 B B28 1 0.50000000 0.60967779 0.03049632 1.0 B B29 1 0.50000000 0.39040790 0.96979982 1.0 B B30 1 0.50000000 0.10903270 0.46989582 1.0 B B31 1 0.50000000 0.89023538 0.52990181 1.0 Ir Ir32 1 0.00000000 0.63722571 0.32170799 1.0 Ru Ru33 1 0.00000000 0.36248472 0.67845846 1.0 Ru Ru34 1 0.00000000 0.13799534 0.17909426 1.0 Ru Ru35 1 0.00000000 0.86203859 0.82106557 1.0