data_[Cs2Ti2Ag2Br12]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1252]
_cell_length_b [13.1356]
_cell_length_c [7.7027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsTiAgBr6]
_chemical_formula_sum '[Cs2 Ti2 Ag2 Br12]'
_cell_volume [719.3498]
_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  2  0.0000  0.0148  0.5000  1.0
  Ti  Ti1  2  0.0000  0.3404  0.0000  1.0
  Ag  Ag2  2  0.0000  0.6612  0.0000  1.0
  Br  Br3  4  0.1486  0.4754  0.8291  1.0
  Br  Br4  4  0.1771  0.2004  0.8231  1.0
  Br  Br5  4  0.2369  0.8161  0.7746  1.0
]