data_[Tl1Hg2Pd1F8]
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
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9951]
_cell_length_b [5.5695]
_cell_length_c [7.7140]
_cell_angle_alpha [96.5501]
_cell_angle_beta [91.2242]
_cell_angle_gamma [91.1650]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlHg2PdF8]
_chemical_formula_sum '[Tl1 Hg2 Pd1 F8]'
_cell_volume [213.0995]
_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  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  2  0.4683  0.4815  0.2399  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1051  0.7612  0.8008  1.0
  F  F4  2  0.1218  0.7876  0.1743  1.0
  F  F5  2  0.3706  0.2461  0.0125  1.0
  F  F6  2  0.4660  0.2695  0.5390  1.0
]