data_[Tl2Si1Hg1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9542]
_cell_length_b [5.9948]
_cell_length_c [7.0979]
_cell_angle_alpha [65.3133]
_cell_angle_beta [89.0805]
_cell_angle_gamma [62.7524]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2SiHgF6]
_chemical_formula_sum '[Tl2 Si1 Hg1 F6]'
_cell_volume [199.7866]
_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  2  0.2486  0.0054  0.2445  1
  Si  Si1  1  0.0000  0.5000  0.5000  1
  Hg  Hg2  1  0.5000  0.5000  0.0000  1
  F  F3  2  0.0920  0.2416  0.7585  1
  F  F4  2  0.1184  0.6722  0.5752  1
  F  F5  2  0.2975  0.3099  0.4551  1
]