# generated using pymatgen
data_ThBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54122143
_cell_length_b   7.54122292
_cell_length_c   7.54122283
_cell_angle_alpha   106.82580564
_cell_angle_beta   106.82581846
_cell_angle_gamma   114.90240078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThBr4
_chemical_formula_sum   'Th2 Br8'
_cell_volume   327.89780421
_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  0.87500000  0.12500000  0.75000000  1.0
  Th  Th1  1  0.12500000  0.87500000  0.25000000  1.0
  Br  Br2  1  0.19894985  0.26250972  0.56355987  1.0
  Br  Br3  1  0.63538998  0.19894985  0.43644013  1.0
  Br  Br4  1  0.36461002  0.80105015  0.56355987  1.0
  Br  Br5  1  0.80105015  0.73749028  0.43644013  1.0
  Br  Br6  1  0.80105015  0.36461002  0.06355987  1.0
  Br  Br7  1  0.73749028  0.80105015  0.93644013  1.0
  Br  Br8  1  0.19894985  0.63538998  0.93644013  1.0
  Br  Br9  1  0.26250972  0.19894985  0.06355987  1.0