data_[Rb4Ti2I2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.7044]
_cell_length_b [7.7044]
_cell_length_c [11.0685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Rb2TiIBr5]
_chemical_formula_sum '[Rb4 Ti2 I2 Br10]'
_cell_volume [657.0049]
_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
[
  Rb  Rb0  4  0.0000  0.5000  0.2508  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0077  1.0
  I  I2  2  0.0000  0.0000  0.7517  1.0
  Br  Br3  8  0.2314  0.2314  0.0008  1.0
  Br  Br4  2  0.0000  0.0000  0.2358  1.0
]