data_[Tl2Ga2Hg1Br6]
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
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6978]
_cell_length_b [8.2310]
_cell_length_c [8.6146]
_cell_angle_alpha [67.3618]
_cell_angle_beta [79.6973]
_cell_angle_gamma [66.5245]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2Ga2HgBr6]
_chemical_formula_sum '[Tl2 Ga2 Hg1 Br6]'
_cell_volume [461.8674]
_cell_formula_units_Z [1]
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  0.2501  0.4370  0.2188  1.0
  Ga  Ga1  2  0.1216  0.9531  0.8967  1.0
  Hg  Hg2  1  0.5000  0.5000  0.5000  1.0
  Br  Br3  2  0.0970  0.7115  0.8134  1.0
  Br  Br4  2  0.1316  0.2193  0.6498  1.0
  Br  Br5  2  0.4349  0.7856  0.0190  1.0
]