data_[Tl6Hg2O2F2]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6773]
_cell_length_b [3.8434]
_cell_length_c [10.6353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3HgOF]
_chemical_formula_sum '[Tl6 Hg2 O2 F2]'
_cell_volume [333.9196]
_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  0.2382  0.2500  0.1701  1.0
  Tl  Tl1  2  0.3537  0.7500  0.8283  1.0
  Tl  Tl2  2  0.3540  0.2500  0.5473  1.0
  Hg  Hg3  2  0.0218  0.7500  0.3401  1.0
  O  O4  2  0.4616  0.2500  0.3643  1.0
  F  F5  2  0.4263  0.7500  0.0916  1.0
]