# generated using pymatgen
data_Tb4BI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69844876
_cell_length_b   9.69844931
_cell_length_c   8.65814685
_cell_angle_alpha   102.55497909
_cell_angle_beta   102.55497933
_cell_angle_gamma   24.18811854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4BI5
_chemical_formula_sum   'Tb4 B1 I5'
_cell_volume   325.33087687
_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
  Tb  Tb0  1  0.63637022  0.63637022  0.06986502  1.0
  Tb  Tb1  1  0.99925372  0.99925372  0.19620176  1.0
  Tb  Tb2  1  0.00074628  0.00074628  0.80379824  1.0
  Tb  Tb3  1  0.36363078  0.36363078  0.93013498  1.0
  B  B4  1  0.50000000  0.50000000  0.00000000  1.0
  I  I5  1  0.82832542  0.82832542  0.17384876  1.0
  I  I6  1  0.16583046  0.16583046  0.34260487  1.0
  I  I7  1  0.50000000  0.50000000  0.50000000  1.0
  I  I8  1  0.83416854  0.83416854  0.65739513  1.0
  I  I9  1  0.17167458  0.17167458  0.82615124  1.0