data_[Cs12I2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1877]
_cell_length_b [15.8921]
_cell_length_c [9.1829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6IBr5]
_chemical_formula_sum '[Cs12 I2 Br10]'
_cell_volume [1263.8291]
_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  0.2415  0.3270  0.7443  1.0
  Cs  Cs1  4  0.2394  0.5000  0.2558  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0000  0.1632  0.5000  1.0
  Br  Br4  4  0.0000  0.3326  0.0000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]