data_[Cs1In1Pb2Br8]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4874]
_cell_length_b [7.6731]
_cell_length_c [8.5485]
_cell_angle_alpha [88.6614]
_cell_angle_beta [75.3931]
_cell_angle_gamma [88.3053]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsIn(PbBr4)2]
_chemical_formula_sum '[Cs1 In1 Pb2 Br8]'
_cell_volume [474.9759]
_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  0.5000  0.0000  0.5000  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0103  0.5501  0.2410  1.0
  Br  Br3  2  0.0920  0.9241  0.2848  1.0
  Br  Br4  2  0.2373  0.7394  0.8605  1.0
  Br  Br5  2  0.2648  0.4417  0.4557  1.0
  Br  Br6  2  0.2675  0.2420  0.9143  1.0
]