data_[Tl4Ag4Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9847]
_cell_length_b [6.3357]
_cell_length_c [6.3288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Ag2HgF6]
_chemical_formula_sum '[Tl4 Ag4 Hg2 F12]'
_cell_volume [423.1011]
_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  4  0.2442  0.0000  0.6551  1.0
  Ag  Ag1  4  0.0972  0.0000  0.9270  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  F  F3  8  0.0615  0.2432  0.3087  1.0
  F  F4  4  0.2234  0.5000  0.7273  1.0
]