data_[Rb4Ti2Ga2Br12]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7893]
_cell_length_b [7.9314]
_cell_length_c [13.6424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2TiGaBr6]
_chemical_formula_sum '[Rb4 Ti2 Ga2 Br12]'
_cell_volume [693.2200]
_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  0.2655  0.0579  0.2493  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1616  0.0069  0.7293  1.0
  Br  Br4  4  0.2148  0.7312  0.5321  1.0
  Br  Br5  4  0.3080  0.1873  0.5351  1.0
]