data_[Tl2Hg2F6]
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 [P2_1/m]
_cell_length_a [5.6522]
_cell_length_b [5.8312]
_cell_length_c [5.8660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlHgF3]
_chemical_formula_sum '[Tl2 Hg2 F6]'
_cell_volume [189.3145]
_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  2  0.2870  0.7500  0.5657  1.0
  Hg  Hg1  2  0.2169  0.2500  0.0352  1.0
  F  F2  4  0.0322  0.0098  0.2540  1.0
  F  F3  2  0.4973  0.2500  0.8404  1.0
]