data_[Cs2Ti10Br24]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.1893]
_cell_length_b [10.4155]
_cell_length_c [10.4973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsTi5Br12]
_chemical_formula_sum '[Cs2 Ti10 Br24]'
_cell_volume [1114.0394]
_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  0.5000  0.5000  1
  Ti  Ti1  4  0.0000  0.3690  0.0000  1
  Ti  Ti2  4  0.1286  0.0000  0.5000  1
  Ti  Ti3  2  0.0000  0.0000  0.0000  1
  Br  Br4  8  0.0000  0.1557  0.3443  1
  Br  Br5  8  0.1619  0.5000  0.1579  1
  Br  Br6  8  0.1750  0.1810  0.0000  1
]