data_[Cs4Ti2Br8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8510]
_cell_length_b [8.0190]
_cell_length_c [5.8814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ti(Br2O)2]
_chemical_formula_sum '[Cs4 Ti2 Br8 O4]'
_cell_volume [578.3497]
_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  0.1859  0.5000  0.3237  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.0776  0.2311  0.7797  1
  O  O3  4  0.1359  0.0000  0.2156  1
]