data_[Cs2In2Br6]
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 [P-1]
_cell_length_a [6.4474]
_cell_length_b [8.2215]
_cell_length_c [9.5179]
_cell_angle_alpha [105.7831]
_cell_angle_beta [98.8014]
_cell_angle_gamma [101.1786]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsInBr3]
_chemical_formula_sum '[Cs2 In2 Br6]'
_cell_volume [464.8367]
_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  0.3171  0.3152  0.1771  1.0
  In  In1  2  0.1646  0.1089  0.6234  1.0
  Br  Br2  2  0.1234  0.3960  0.8101  1.0
  Br  Br3  2  0.2474  0.9465  0.8213  1.0
  Br  Br4  2  0.4860  0.7519  0.4518  1.0
]