data_[Cd36Ga18Hg3]
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 [R-3m]
_cell_length_a [13.1894]
_cell_length_b [13.1894]
_cell_length_c [8.9417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd12Ga6Hg]
_chemical_formula_sum '[Cd36 Ga18 Hg3]'
_cell_volume [1347.1015]
_cell_formula_units_Z [3]
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  18  0.0000  0.3850  0.5000  1.0
  Cd  Cd1  18  0.0802  0.1604  0.2710  1.0
  Ga  Ga2  18  0.0693  0.5347  0.2298  1.0
  Hg  Hg3  3  0.0000  0.0000  0.0000  1.0
]