data_[Cd24Ga4Hg12]
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 [10.2544]
_cell_length_b [15.0398]
_cell_length_c [6.3993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd6GaHg3]
_chemical_formula_sum '[Cd24 Ga4 Hg12]'
_cell_volume [986.9191]
_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  0.1539  0.4573  0.2905  1.0
  Cd  Cd1  8  0.2113  0.2223  0.7880  1.0
  Cd  Cd2  4  0.0000  0.0617  0.7651  1.0
  Cd  Cd3  4  0.0000  0.3774  0.6640  1.0
  Ga  Ga4  4  0.0000  0.2042  0.4698  1.0
  Hg  Hg5  8  0.1656  0.1025  0.1857  1.0
  Hg  Hg6  4  0.0000  0.3050  0.0874  1.0
]