data_[Tl2Hg4Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1625]
_cell_length_b [6.2342]
_cell_length_c [6.4069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlHg2BrO2]
_chemical_formula_sum '[Tl2 Hg4 Br2 O4]'
_cell_volume [243.1860]
_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  0.1061  0.2500  0.9038  1
  Hg  Hg1  2  0.1708  0.2500  0.4465  1
  Hg  Hg2  2  0.4596  0.7500  0.2345  1
  Br  Br3  2  0.2963  0.7500  0.6707  1
  O  O4  4  0.1795  0.5006  0.1746  1
]