data_[Cd16Ga2Hg4]
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 [7.7996]
_cell_length_b [13.7374]
_cell_length_c [5.4742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8GaHg2]
_chemical_formula_sum '[Cd16 Ga2 Hg4]'
_cell_volume [533.1148]
_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  0.2102  0.1115  0.1754  1.0
  Cd  Cd1  4  0.0000  0.2127  0.5000  1.0
  Cd  Cd2  4  0.0976  0.5000  0.2949  1.0
  Ga  Ga3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.0000  0.3039  0.0000  1.0
]