data_[Cs1In1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9551]
_cell_length_b [7.7936]
_cell_length_c [9.9391]
_cell_angle_alpha [74.0260]
_cell_angle_beta [79.9988]
_cell_angle_gamma [78.6604]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsIn(SnBr4)2]
_chemical_formula_sum '[Cs1 In1 Sn2 Br8]'
_cell_volume [503.7387]
_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  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4570  0.4318  0.7390  1.0
  Br  Br3  2  0.1466  0.7236  0.2373  1.0
  Br  Br4  2  0.2244  0.8221  0.8260  1.0
  Br  Br5  2  0.2876  0.2037  0.9882  1.0
  Br  Br6  2  0.4298  0.2540  0.5433  1.0
]