data_[Tl4Hg2F8]
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 [P2_1/m]
_cell_length_a [5.4464]
_cell_length_b [6.8860]
_cell_length_c [8.1670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2HgF4]
_chemical_formula_sum '[Tl4 Hg2 F8]'
_cell_volume [294.1667]
_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  0.2487  0.7500  0.4863  1.0
  Tl  Tl1  2  0.3846  0.2500  0.9659  1.0
  Hg  Hg2  2  0.0669  0.2500  0.1599  1.0
  F  F3  4  0.2617  0.5424  0.8047  1.0
  F  F4  2  0.2213  0.2500  0.4449  1.0
  F  F5  2  0.2981  0.7500  0.1413  1.0
]