data_[Cs4In2Br8]
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 [P2_1/m]
_cell_length_a [8.3314]
_cell_length_b [7.8663]
_cell_length_c [10.5082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2InBr4]
_chemical_formula_sum '[Cs4 In2 Br8]'
_cell_volume [650.3871]
_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  0.2288  0.7500  0.4358  1.0
  Cs  Cs1  2  0.2727  0.7500  0.9390  1.0
  In  In2  2  0.2582  0.2500  0.1942  1.0
  Br  Br3  4  0.4928  0.5064  0.2556  1.0
  Br  Br4  2  0.0891  0.2500  0.3866  1.0
  Br  Br5  2  0.0918  0.2500  0.9132  1.0
]