# generated using pymatgen
data_ThBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39212260
_cell_length_b   8.39212226
_cell_length_c   8.39212277
_cell_angle_alpha   131.86959947
_cell_angle_beta   131.86961129
_cell_angle_gamma   70.43503902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThBr4
_chemical_formula_sum   'Th2 Br8'
_cell_volume   321.16184174
_cell_formula_units_Z   2
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
  Th  Th0  1  0.37500000  0.12500000  0.25000000  1.0
  Th  Th1  1  0.62500000  0.87500000  0.75000000  1.0
  Br  Br2  1  0.66839384  0.53605075  0.80508903  1.0
  Br  Br3  1  0.36330481  0.16839384  0.63234310  1.0
  Br  Br4  1  0.33160616  0.46394925  0.19491097  1.0
  Br  Br5  1  0.96394925  0.26903728  0.13234310  1.0
  Br  Br6  1  0.03605075  0.73096272  0.86765690  1.0
  Br  Br7  1  0.76903728  0.13669519  0.30508903  1.0
  Br  Br8  1  0.63669519  0.83160616  0.36765690  1.0
  Br  Br9  1  0.23096272  0.86330481  0.69491097  1.0