data_[Cd12Ga4Hg24]
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 [Cmc2_1]
_cell_length_a [11.6055]
_cell_length_b [13.6836]
_cell_length_c [7.0267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd3GaHg6]
_chemical_formula_sum '[Cd12 Ga4 Hg24]'
_cell_volume [1115.8705]
_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  0.1822  0.0859  0.9128  1.0
  Cd  Cd1  4  0.0000  0.3543  0.9240  1.0
  Ga  Ga2  4  0.0000  0.2051  0.6430  1.0
  Hg  Hg3  8  0.1344  0.4999  0.6663  1.0
  Hg  Hg4  8  0.2395  0.2602  0.6769  1.0
  Hg  Hg5  4  0.0000  0.0004  0.6548  1.0
  Hg  Hg6  4  0.0000  0.2176  0.2515  1.0
]