data_[Cd1Hg1Ge1F6]
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
  Ge  2.0100  1.2500  0.7700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.7014]
_cell_length_b [5.7014]
_cell_length_c [7.0643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CdHgGeF6]
_chemical_formula_sum '[Cd1 Hg1 Ge1 F6]'
_cell_volume [198.8696]
_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
[
  Cd  Cd0  1  0.3333  0.6667  0.5000  1.0
  Hg  Hg1  1  0.6667  0.3333  0.0000  1.0
  Ge  Ge2  1  0.0000  0.0000  0.5000  1.0
  F  F3  6  0.0192  0.2740  0.6485  1.0
]