data_[Cs6Ca4Br8Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4601]
_cell_length_b [5.7700]
_cell_length_c [29.1751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs3Ca2Br4Cl3]
_chemical_formula_sum '[Cs6 Ca4 Br8 Cl6]'
_cell_volume [919.1603]
_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  4  0.0000  0.5000  0.3183  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Ca  Ca2  4  0.0000  0.5000  0.0943  1
  Br  Br3  4  0.0000  0.0000  0.0922  1
  Br  Br4  4  0.0000  0.5000  0.1936  1
  Cl  Cl5  4  0.0000  0.0000  0.4066  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]