data_[Tl1Hg2Au1F8]
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
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0063]
_cell_length_b [5.8514]
_cell_length_c [7.7855]
_cell_angle_alpha [84.5665]
_cell_angle_beta [89.5302]
_cell_angle_gamma [88.7526]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlHg2AuF8]
_chemical_formula_sum '[Tl1 Hg2 Au1 F8]'
_cell_volume [226.9822]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  2  0.4991  0.5043  0.7652  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0074  0.7641  0.2011  1.0
  F  F4  2  0.0107  0.7632  0.8337  1.0
  F  F5  2  0.4903  0.2622  0.9715  1.0
  F  F6  2  0.4923  0.2661  0.4501  1.0
]