data_[Cs12Br12Cl4]
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 [10.2041]
_cell_length_b [10.0948]
_cell_length_c [15.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Br3Cl]
_chemical_formula_sum '[Cs12 Br12 Cl4]'
_cell_volume [1516.3992]
_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  8  0.1202  0.2501  0.2478  1
  Cs  Cs1  4  0.2488  0.5000  0.9975  1
  Br  Br2  4  0.0000  0.1144  0.5000  1
  Br  Br3  4  0.0000  0.2499  0.0000  1
  Br  Br4  4  0.1224  0.5000  0.7368  1
  Cl  Cl5  4  0.1381  0.0000  0.7692  1
]