data_[Cd16Ga4Hg24]
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 [Fmm2]
_cell_length_a [8.6248]
_cell_length_b [8.6474]
_cell_length_c [14.9797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Cd4GaHg6]
_chemical_formula_sum '[Cd16 Ga4 Hg24]'
_cell_volume [1117.2146]
_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  8  0.0000  0.1898  0.3611  1
  Cd  Cd1  8  0.1883  0.0000  0.1452  1
  Ga  Ga2  4  0.0000  0.0000  0.9800  1
  Hg  Hg3  8  0.0000  0.1896  0.6683  1
  Hg  Hg4  8  0.2100  0.0000  0.8311  1
  Hg  Hg5  8  0.2500  0.2500  0.0043  1
]