data_[Cs4Ti2Br8Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2761]
_cell_length_b [7.5376]
_cell_length_c [6.6020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ti(Br2Cl)2]
_chemical_formula_sum '[Cs4 Ti2 Br8 Cl4]'
_cell_volume [655.6315]
_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  0.1586  0.5000  0.2665  1
  Ti  Ti1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.0879  0.2392  0.7316  1
  Cl  Cl3  4  0.1374  0.0000  0.3093  1
]