data_[Ti2Ga4I12Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7438]
_cell_length_b [9.6528]
_cell_length_c [7.1663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiGa2(I3Br)2]
_chemical_formula_sum '[Ti2 Ga4 I12 Br4]'
_cell_volume [940.5149]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.0000  1
  Ga  Ga1  4  0.1904  0.0000  0.6574  1
  I  I2  8  0.0986  0.2040  0.8043  1
  I  I3  4  0.1712  0.0000  0.2832  1
  Br  Br4  4  0.1384  0.5000  0.2581  1
]