data_[Cd4Ga1Hg7]
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 [P-3m1]
_cell_length_a [4.1825]
_cell_length_b [4.1825]
_cell_length_c [21.3871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cd4GaHg7]
_chemical_formula_sum '[Cd4 Ga1 Hg7]'
_cell_volume [324.0076]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.0857  1.0
  Cd  Cd1  2  0.3333  0.6667  0.3445  1.0
  Ga  Ga2  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.2605  1.0
  Hg  Hg4  2  0.3333  0.6667  0.5721  1.0
  Hg  Hg5  2  0.3333  0.6667  0.8295  1.0
  Hg  Hg6  1  0.0000  0.0000  0.0000  1.0
]