# generated using pymatgen
data_Tm2B6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59456772
_cell_length_b   9.10237800
_cell_length_c   11.42778334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2B6Ir
_chemical_formula_sum   'Tm8 B24 Ir4'
_cell_volume   373.90694711
_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  0.32087837  0.41328077  1.0
  Tm  Tm1  1  0.00000000  0.67912163  0.58671923  1.0
  Tm  Tm2  1  0.00000000  0.82087837  0.08671923  1.0
  Tm  Tm3  1  0.00000000  0.17912163  0.91328077  1.0
  Tm  Tm4  1  0.00000000  0.94419017  0.37527901  1.0
  Tm  Tm5  1  0.00000000  0.05580983  0.62472099  1.0
  Tm  Tm6  1  0.00000000  0.44419017  0.12472099  1.0
  Tm  Tm7  1  0.00000000  0.55580983  0.87527901  1.0
  B  B8  1  0.50000000  0.55297420  0.43449018  1.0
  B  B9  1  0.50000000  0.44702580  0.56550982  1.0
  B  B10  1  0.50000000  0.05297420  0.06550982  1.0
  B  B11  1  0.50000000  0.94702580  0.93449018  1.0
  B  B12  1  0.50000000  0.74941278  0.42108518  1.0
  B  B13  1  0.50000000  0.25058722  0.57891482  1.0
  B  B14  1  0.50000000  0.24941278  0.07891482  1.0
  B  B15  1  0.50000000  0.75058722  0.92108518  1.0
  B  B16  1  0.50000000  0.79383985  0.26511866  1.0
  B  B17  1  0.50000000  0.20616015  0.73488134  1.0
  B  B18  1  0.50000000  0.29383985  0.23488134  1.0
  B  B19  1  0.50000000  0.70616015  0.76511866  1.0
  B  B20  1  0.50000000  0.63250297  0.18397084  1.0
  B  B21  1  0.50000000  0.36749703  0.81602916  1.0
  B  B22  1  0.50000000  0.13250297  0.31602916  1.0
  B  B23  1  0.50000000  0.86749703  0.68397084  1.0
  B  B24  1  0.50000000  0.98128664  0.21329004  1.0
  B  B25  1  0.50000000  0.01871336  0.78670996  1.0
  B  B26  1  0.50000000  0.48128664  0.28670996  1.0
  B  B27  1  0.50000000  0.51871336  0.71329004  1.0
  B  B28  1  0.50000000  0.61162880  0.03065411  1.0
  B  B29  1  0.50000000  0.38837120  0.96934589  1.0
  B  B30  1  0.50000000  0.11162880  0.46934589  1.0
  B  B31  1  0.50000000  0.88837120  0.53065411  1.0
  Ir  Ir32  1  0.00000000  0.63836305  0.32122538  1.0
  Ir  Ir33  1  0.00000000  0.36163695  0.67877462  1.0
  Ir  Ir34  1  0.00000000  0.13836305  0.17877462  1.0
  Ir  Ir35  1  0.00000000  0.86163695  0.82122538  1.0