data_[Cs2In4Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5407]
_cell_length_b [11.7361]
_cell_length_c [8.9105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CsIn2Br3]
_chemical_formula_sum '[Cs2 In4 Br6]'
_cell_volume [474.8416]
_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
[
  Cs  Cs0  2  0.0000  0.1182  0.4534  1.0
  In  In1  2  0.0000  0.2796  0.9857  1.0
  In  In2  2  0.5000  0.4958  0.0847  1.0
  Br  Br3  2  0.0000  0.4242  0.3455  1.0
  Br  Br4  2  0.5000  0.1046  0.1198  1.0
  Br  Br5  2  0.5000  0.2737  0.7122  1.0
]