# generated using pymatgen
data_Tb4B4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63809275
_cell_length_b   9.63809264
_cell_length_c   9.82520023
_cell_angle_alpha   75.27820093
_cell_angle_beta   75.27820056
_cell_angle_gamma   25.46193781
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4B4I5
_chemical_formula_sum   'Tb4 B4 I5'
_cell_volume   378.82561056
_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  0.50412241  0.50412241  0.75513897  1.0
  Tb  Tb1  1  0.49784197  0.49784197  0.24323030  1.0
  Tb  Tb2  1  0.12947842  0.12947842  0.93585065  1.0
  Tb  Tb3  1  0.87235562  0.87235562  0.06294982  1.0
  B  B4  1  0.31534965  0.68647722  0.99922145  1.0
  B  B5  1  0.68647722  0.31534965  0.99922145  1.0
  B  B6  1  0.00043277  0.00043277  0.10036410  1.0
  B  B7  1  0.00139421  0.00139421  0.89810322  1.0
  I  I8  1  0.67655753  0.67655753  0.68906582  1.0
  I  I9  1  0.32527755  0.32527755  0.31034706  1.0
  I  I10  1  0.32853968  0.32853968  0.85530063  1.0
  I  I11  1  0.67361087  0.67361087  0.14332077  1.0
  I  I12  1  0.00286309  0.00286309  0.49808577  1.0