data_[Cs2In4Br8]
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 [P1]
_cell_length_a [8.7857]
_cell_length_b [9.1501]
_cell_length_c [9.4000]
_cell_angle_alpha [114.7486]
_cell_angle_beta [107.4423]
_cell_angle_gamma [103.6362]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cs(InBr2)2]
_chemical_formula_sum '[Cs2 In4 Br8]'
_cell_volume [595.0795]
_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  1  0.5349  0.2612  0.7681  1.0
  Cs  Cs1  1  0.9742  0.0205  0.9965  1.0
  In  In2  1  0.2509  0.6322  0.8655  1.0
  In  In3  1  0.2527  0.6391  0.3594  1.0
  In  In4  1  0.7357  0.0938  0.3734  1.0
  In  In5  1  0.8806  0.6639  0.4350  1.0
  Br  Br6  1  0.2096  0.3907  0.9626  1.0
  Br  Br7  1  0.2147  0.3858  0.5506  1.0
  Br  Br8  1  0.2770  0.8823  0.7786  1.0
  Br  Br9  1  0.2982  0.8893  0.1941  1.0
  Br  Br10  1  0.6081  0.7330  0.0166  1.0
  Br  Br11  1  0.6343  0.8380  0.5599  1.0
  Br  Br12  1  0.7355  0.2765  0.1684  1.0
  Br  Br13  1  0.8936  0.5437  0.7212  1.0
]