data_[Cs2Br2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7270]
_cell_length_b [5.2663]
_cell_length_c [7.5833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsBrCl4]
_chemical_formula_sum '[Cs2 Br2 Cl8]'
_cell_volume [460.8747]
_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  0.0000  0.5000  1.0
  Br  Br1  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl2  4  0.1361  0.5000  0.8567  1.0
  Cl  Cl3  4  0.1553  0.5000  0.3235  1.0
]