data_[Tl4Hg6F16]
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/m]
_cell_length_a [12.4752]
_cell_length_b [7.4113]
_cell_length_c [6.0804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Hg3F8]
_chemical_formula_sum '[Tl4 Hg6 F16]'
_cell_volume [543.6553]
_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  0.2135  0.5000  0.6364  1
  Hg  Hg1  4  0.0000  0.2557  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.1033  0.2219  0.3796  1
  F  F4  4  0.0962  0.0000  0.9004  1
  F  F5  4  0.1067  0.5000  0.9463  1
]