data_[Cs1Th1In2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2455]
_cell_length_b [7.4018]
_cell_length_c [10.0483]
_cell_angle_alpha [85.1358]
_cell_angle_beta [81.5658]
_cell_angle_gamma [86.0040]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTh(InBr4)2]
_chemical_formula_sum '[Cs1 Th1 In2 Br8]'
_cell_volume [530.2429]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  In  In2  2  0.4632  0.4832  0.7297  1
  Br  Br3  2  0.2088  0.8078  0.1926  1
  Br  Br4  2  0.2237  0.3005  0.9978  1
  Br  Br5  2  0.2610  0.8645  0.7809  1
  Br  Br6  2  0.2872  0.3822  0.5108  1
]