data_[Tl4Ga2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [7.2948]
_cell_length_b [7.6484]
_cell_length_c [12.5674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2GaBr6]
_chemical_formula_sum '[Tl4 Ga2 Br12]'
_cell_volume [577.5344]
_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
[
  Tl  Tl0  4  0.2190  0.5783  0.2469  1
  Ga  Ga1  2  0.5000  0.0000  0.5000  1
  Br  Br2  4  0.1696  0.6853  0.9584  1
  Br  Br3  4  0.2791  0.2175  0.9577  1
  Br  Br4  4  0.3515  0.5168  0.7603  1
]