data_[Cd14Ga2Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2046]
_cell_length_b [5.4887]
_cell_length_c [10.7109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd7GaHg4]
_chemical_formula_sum '[Cd14 Ga2 Hg8]'
_cell_volume [621.7196]
_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  4  0.0879  0.0000  0.4443  1.0
  Cd  Cd1  4  0.1864  0.5000  0.8934  1.0
  Cd  Cd2  4  0.2410  0.0000  0.3191  1.0
  Cd  Cd3  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga4  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg5  4  0.0990  0.5000  0.3345  1.0
  Hg  Hg6  4  0.1951  0.0000  0.7764  1.0
]