data_[Cs1Rb2Th1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1694]
_cell_length_b [7.9766]
_cell_length_c [10.3895]
_cell_angle_alpha [89.8439]
_cell_angle_beta [72.8361]
_cell_angle_gamma [89.9665]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsRb2ThBr8]
_chemical_formula_sum '[Cs1 Rb2 Th1 Br8]'
_cell_volume [488.5068]
_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
  Rb  Rb1  2  0.3468  0.4980  0.8067  1
  Th  Th2  1  0.0000  0.0000  0.0000  1
  Br  Br3  2  0.1864  0.2556  0.1255  1
  Br  Br4  2  0.1906  0.7382  0.1183  1
  Br  Br5  2  0.2451  0.5000  0.4998  1
  Br  Br6  2  0.3621  0.0066  0.7530  1
]