data_[Cd4Hg8F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4254]
_cell_length_b [13.1861]
_cell_length_c [10.6260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CdHg2F5]
_chemical_formula_sum '[Cd4 Hg8 F20]'
_cell_volume [620.0715]
_cell_formula_units_Z [4]
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  4  0.0000  0.1960  0.2500  1.0
  Hg  Hg1  8  0.0000  0.1054  0.6172  1.0
  F  F2  8  0.0000  0.0780  0.0972  1.0
  F  F3  8  0.0000  0.3344  0.1112  1.0
  F  F4  4  0.0000  0.2822  0.7500  1.0
]