# generated using pymatgen
data_LiTm8(B8Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60895993
_cell_length_b   9.07351163
_cell_length_c   11.41743779
_cell_angle_alpha   90.12330025
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTm8(B8Ir)3
_chemical_formula_sum   'Li1 Tm8 B24 Ir3'
_cell_volume   373.87386628
_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
  Li  Li0  1  0.00000000  0.63679075  0.32319228  1.0
  Tm  Tm1  1  0.00000000  0.32680827  0.41227765  1.0
  Tm  Tm2  1  0.00000000  0.67624740  0.58162979  1.0
  Tm  Tm3  1  0.00000000  0.82079665  0.08803495  1.0
  Tm  Tm4  1  0.00000000  0.18001421  0.91459633  1.0
  Tm  Tm5  1  0.00000000  0.94001702  0.37227839  1.0
  Tm  Tm6  1  0.00000000  0.05587975  0.62518211  1.0
  Tm  Tm7  1  0.00000000  0.44734655  0.12939444  1.0
  Tm  Tm8  1  0.00000000  0.55602685  0.87415565  1.0
  B  B9  1  0.50000000  0.55212343  0.43442760  1.0
  B  B10  1  0.50000000  0.44792971  0.56413524  1.0
  B  B11  1  0.50000000  0.05407851  0.06599354  1.0
  B  B12  1  0.50000000  0.94731627  0.93402103  1.0
  B  B13  1  0.50000000  0.74729093  0.42035498  1.0
  B  B14  1  0.50000000  0.25202189  0.57821660  1.0
  B  B15  1  0.50000000  0.25163260  0.08073310  1.0
  B  B16  1  0.50000000  0.75081255  0.92093565  1.0
  B  B17  1  0.50000000  0.79323541  0.26300873  1.0
  B  B18  1  0.50000000  0.20621486  0.73609923  1.0
  B  B19  1  0.50000000  0.29535353  0.23624487  1.0
  B  B20  1  0.50000000  0.70650553  0.76411157  1.0
  B  B21  1  0.50000000  0.63455982  0.18401462  1.0
  B  B22  1  0.50000000  0.36707928  0.81750405  1.0
  B  B23  1  0.50000000  0.13163514  0.31468767  1.0
  B  B24  1  0.50000000  0.86675273  0.68273868  1.0
  B  B25  1  0.50000000  0.97976675  0.21298968  1.0
  B  B26  1  0.50000000  0.01827115  0.78636190  1.0
  B  B27  1  0.50000000  0.48123309  0.28841695  1.0
  B  B28  1  0.50000000  0.51721754  0.71244659  1.0
  B  B29  1  0.50000000  0.61054181  0.03079539  1.0
  B  B30  1  0.50000000  0.39285305  0.97144643  1.0
  B  B31  1  0.50000000  0.10766633  0.46958478  1.0
  B  B32  1  0.50000000  0.88967939  0.52928599  1.0
  Ir  Ir33  1  0.00000000  0.35765773  0.68298174  1.0
  Ir  Ir34  1  0.00000000  0.13759781  0.17571582  1.0
  Ir  Ir35  1  0.00000000  0.86304371  0.82200698  1.0