data_[Cd2Fe2Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.0972]
_cell_length_b [5.0972]
_cell_length_c [10.6296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CdFeHgF6]
_chemical_formula_sum '[Cd2 Fe2 Hg2 F12]'
_cell_volume [276.1718]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.9987  1.0
  Fe  Fe1  2  0.0000  0.0000  0.3338  1.0
  Hg  Hg2  2  0.0000  0.0000  0.6672  1.0
  F  F3  4  0.1832  0.8168  0.1752  1.0
  F  F4  4  0.1908  0.8092  0.4861  1.0
  F  F5  4  0.2142  0.7858  0.8388  1.0
]