data_[Tl2Ag2Hg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2497]
_cell_length_b [7.8132]
_cell_length_c [8.7950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlAgHgBr4]
_chemical_formula_sum '[Tl2 Ag2 Hg2 Br8]'
_cell_volume [488.1541]
_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  0.2232  0.2500  0.0591  1.0
  Ag  Ag1  2  0.2968  0.2500  0.6754  1.0
  Hg  Hg2  2  0.2134  0.7500  0.3472  1.0
  Br  Br3  4  0.0448  0.0013  0.7340  1.0
  Br  Br4  2  0.3900  0.7500  0.0889  1.0
  Br  Br5  2  0.4829  0.2500  0.4362  1.0
]