data_[Tl2Zn2Hg1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  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 [7.5119]
_cell_length_b [8.1503]
_cell_length_c [8.3342]
_cell_angle_alpha [81.8322]
_cell_angle_beta [72.7792]
_cell_angle_gamma [76.2690]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2Zn2HgBr6]
_chemical_formula_sum '[Tl2 Zn2 Hg1 Br6]'
_cell_volume [472.0346]
_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  0.4973  0.7773  0.7773  1.0
  Zn  Zn1  2  0.0024  0.8536  0.1705  1.0
  Hg  Hg2  1  0.5000  0.5000  0.5000  1.0
  Br  Br3  2  0.1936  0.0825  0.0443  1.0
  Br  Br4  2  0.2185  0.5903  0.1160  1.0
  Br  Br5  2  0.2189  0.0587  0.5718  1.0
]