# generated using pymatgen data_Tm5Ta3(ReB6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56104030 _cell_length_b 8.91901966 _cell_length_c 11.26342830 _cell_angle_alpha 89.92866198 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Ta3(ReB6)4 _chemical_formula_sum 'Tm5 Ta3 Re4 B24' _cell_volume 357.73733841 _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 0.32190908 0.41362144 1.0 Tm Tm1 1 0.00000000 0.67714499 0.58773580 1.0 Tm Tm2 1 0.00000000 0.82220004 0.08644797 1.0 Tm Tm3 1 0.00000000 0.17772054 0.91276713 1.0 Tm Tm4 1 0.00000000 0.94518274 0.37356896 1.0 Ta Ta5 1 0.00000000 0.05549546 0.62810080 1.0 Ta Ta6 1 0.00000000 0.44569595 0.12350150 1.0 Ta Ta7 1 0.00000000 0.55524258 0.87640697 1.0 Re Re8 1 0.00000000 0.63508755 0.31428984 1.0 Re Re9 1 0.00000000 0.35791835 0.68492026 1.0 Re Re10 1 0.00000000 0.14792470 0.17797797 1.0 Re Re11 1 0.00000000 0.85700212 0.81917437 1.0 B B12 1 0.50000000 0.55126945 0.43330576 1.0 B B13 1 0.50000000 0.44461777 0.56684554 1.0 B B14 1 0.50000000 0.05537613 0.06520041 1.0 B B15 1 0.50000000 0.94591459 0.93386720 1.0 B B16 1 0.50000000 0.74865341 0.41777584 1.0 B B17 1 0.50000000 0.24622990 0.58328850 1.0 B B18 1 0.50000000 0.25555861 0.07959713 1.0 B B19 1 0.50000000 0.74565999 0.91896247 1.0 B B20 1 0.50000000 0.79355776 0.26235937 1.0 B B21 1 0.50000000 0.20392072 0.73840411 1.0 B B22 1 0.50000000 0.29723129 0.23493658 1.0 B B23 1 0.50000000 0.70349956 0.76315978 1.0 B B24 1 0.50000000 0.62849939 0.18094990 1.0 B B25 1 0.50000000 0.37130700 0.81906390 1.0 B B26 1 0.50000000 0.13346186 0.31596436 1.0 B B27 1 0.50000000 0.87042752 0.68253277 1.0 B B28 1 0.50000000 0.98395061 0.21137043 1.0 B B29 1 0.50000000 0.01866708 0.78773048 1.0 B B30 1 0.50000000 0.47947249 0.28555199 1.0 B B31 1 0.50000000 0.51962086 0.71337250 1.0 B B32 1 0.50000000 0.60003872 0.02573551 1.0 B B33 1 0.50000000 0.40136085 0.97273622 1.0 B B34 1 0.50000000 0.10265269 0.47761535 1.0 B B35 1 0.50000000 0.90052963 0.53116291 1.0