data_[Tl12Hg4F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1605]
_cell_length_b [12.0961]
_cell_length_c [6.1486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3HgF6]
_chemical_formula_sum '[Tl12 Hg4 F24]'
_cell_volume [830.0585]
_cell_formula_units_Z [4]
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  8  0.2074  0.1116  0.5218  1.0
  Tl  Tl1  4  0.0000  0.4020  0.5970  1.0
  Hg  Hg2  4  0.0000  0.1569  0.0204  1.0
  F  F3  8  0.1254  0.4753  0.3112  1.0
  F  F4  8  0.1366  0.2650  0.8083  1.0
  F  F5  4  0.0000  0.0261  0.7830  1.0
  F  F6  4  0.0000  0.2335  0.3316  1.0
]