data_[Cd12Ga8Hg4]
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/c]
_cell_length_a [6.1168]
_cell_length_b [7.9203]
_cell_length_c [11.1477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd3Ga2Hg]
_chemical_formula_sum '[Cd12 Ga8 Hg4]'
_cell_volume [539.7552]
_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  0.2482  0.4353  0.9997  1
  Cd  Cd1  4  0.0000  0.4420  0.2500  1
  Ga  Ga2  8  0.1218  0.2470  0.6230  1
  Hg  Hg3  4  0.0000  0.0711  0.2500  1
]