data_[Cd4Hg4F12]
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 [C2/m]
_cell_length_a [14.6736]
_cell_length_b [3.6794]
_cell_length_c [6.4166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdHgF3]
_chemical_formula_sum '[Cd4 Hg4 F12]'
_cell_volume [337.7718]
_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  0.2135  0.0000  0.2344  1.0
  Hg  Hg1  4  0.0335  0.5000  0.7067  1.0
  F  F2  4  0.0619  0.0000  0.1894  1.0
  F  F3  4  0.1705  0.5000  0.9729  1.0
  F  F4  4  0.2081  0.0000  0.6122  1.0
]