data_[Tl2Ga4Br6]
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/m]
_cell_length_a [6.7243]
_cell_length_b [4.5283]
_cell_length_c [13.0635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlGa2Br3]
_chemical_formula_sum '[Tl2 Ga4 Br6]'
_cell_volume [397.1198]
_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  2  0.0611  0.7500  0.2101  1.0
  Ga  Ga1  2  0.3380  0.7500  0.8827  1.0
  Ga  Ga2  2  0.4853  0.2500  0.4263  1.0
  Br  Br3  2  0.1010  0.2500  0.3814  1.0
  Br  Br4  2  0.2719  0.2500  0.0416  1.0
  Br  Br5  2  0.4460  0.2500  0.7205  1.0
]