data_[Cs4Br4Cl12]
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 [P2_1/c]
_cell_length_a [9.8872]
_cell_length_b [8.0417]
_cell_length_c [11.1283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsBrCl3]
_chemical_formula_sum '[Cs4 Br4 Cl12]'
_cell_volume [731.8653]
_cell_formula_units_Z [4]
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  4  0.3172  0.7488  0.9063  1.0
  Br  Br1  4  0.2049  0.1982  0.6049  1.0
  Cl  Cl2  4  0.0664  0.7062  0.5308  1.0
  Cl  Cl3  4  0.2219  0.2482  0.3632  1.0
  Cl  Cl4  4  0.4736  0.0664  0.7396  1.0
]