data_[Tl4Ag2Hg2Br12]
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 [C2/m]
_cell_length_a [12.1766]
_cell_length_b [7.4552]
_cell_length_c [8.8485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2AgHgBr6]
_chemical_formula_sum '[Tl4 Ag2 Hg2 Br12]'
_cell_volume [711.8342]
_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  0.2086  0.5000  0.6875  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  8  0.0567  0.2489  0.3385  1.0
  Br  Br4  4  0.2292  0.5000  0.1082  1.0
]