data_[Cd10Ga2Hg16]
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 [I-4]
_cell_length_a [8.8764]
_cell_length_b [8.8764]
_cell_length_c [8.9975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cd5GaHg8]
_chemical_formula_sum '[Cd10 Ga2 Hg16]'
_cell_volume [708.9255]
_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  8  0.1180  0.2670  0.1495  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.7500  1.0
  Hg  Hg3  8  0.0705  0.1733  0.8158  1.0
  Hg  Hg4  8  0.0843  0.3252  0.4779  1.0
]