data_[Cd20Ga4Hg4]
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 [12.9929]
_cell_length_b [5.4158]
_cell_length_c [10.8887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd5GaHg]
_chemical_formula_sum '[Cd20 Ga4 Hg4]'
_cell_volume [684.8255]
_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  0.1465  0.4970  0.1172  1.0
  Cd  Cd1  8  0.2404  0.0020  0.5671  1.0
  Cd  Cd2  4  0.0000  0.2561  0.2500  1.0
  Ga  Ga3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.2433  0.7500  1.0
]