data_[Tl4Hg2Pb2F12]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.2801]
_cell_length_b [6.5867]
_cell_length_c [6.7005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2HgPbF6]
_chemical_formula_sum '[Tl4 Hg2 Pb2 F12]'
_cell_volume [405.6771]
_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  0.2487  0.4831  0.7264  1
  Hg  Hg1  2  0.0000  0.9975  0.5000  1
  Pb  Pb2  2  0.0000  0.4962  0.0000  1
  F  F3  4  0.0605  0.7507  0.3161  1
  F  F4  4  0.0644  0.2423  0.3161  1
  F  F5  4  0.2410  0.0199  0.8373  1
]