data_[Zn1Hg1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3877]
_cell_length_b [5.4099]
_cell_length_c [5.6310]
_cell_angle_alpha [64.3842]
_cell_angle_beta [62.5136]
_cell_angle_gamma [62.7866]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnHgF6]
_chemical_formula_sum '[Zn1 Hg1 F6]'
_cell_volume [124.2874]
_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
[
  Zn  Zn0  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1409  0.7630  0.7306  1.0
  F  F3  2  0.2766  0.6043  0.2772  1.0
  F  F4  2  0.3555  0.1516  0.7621  1.0
]