data_[Tl8Hg8F24]
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 [C2/c]
_cell_length_a [11.0417]
_cell_length_b [11.7515]
_cell_length_c [6.3014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlHgF3]
_chemical_formula_sum '[Tl8 Hg8 F24]'
_cell_volume [817.4391]
_cell_formula_units_Z [8]
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  0.1697  0.4078  0.6623  1.0
  Hg  Hg1  4  0.0000  0.0802  0.7500  1.0
  Hg  Hg2  4  0.0000  0.2385  0.2500  1.0
  F  F3  8  0.0619  0.3727  0.0195  1.0
  F  F4  8  0.1029  0.0780  0.0936  1.0
  F  F5  8  0.1273  0.1906  0.5574  1.0
]