data_[Cs12Br4Cl4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7415]
_cell_length_b [14.3837]
_cell_length_c [8.7973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6Br2Cl2O]
_chemical_formula_sum '[Cs12 Br4 Cl4 O2]'
_cell_volume [1046.4851]
_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  8  0.2131  0.1533  0.7107  1
  Cs  Cs1  4  0.1977  0.0000  0.3026  1
  Br  Br2  4  0.0000  0.1779  0.0000  1
  Cl  Cl3  4  0.0000  0.3383  0.5000  1
  O  O4  2  0.0000  0.0000  0.5000  1
]