data_[Cd24Ga4Hg10]
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/m]
_cell_length_a [16.2472]
_cell_length_b [7.1475]
_cell_length_c [8.7095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd12Ga2Hg5]
_chemical_formula_sum '[Cd24 Ga4 Hg10]'
_cell_volume [983.1132]
_cell_formula_units_Z [2]
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  0.1420  0.2573  0.5991  1.0
  Cd  Cd1  8  0.1889  0.2072  0.1321  1.0
  Cd  Cd2  4  0.0235  0.5000  0.3307  1.0
  Cd  Cd3  4  0.0399  0.0000  0.2016  1.0
  Ga  Ga4  4  0.0000  0.3150  0.0000  1.0
  Hg  Hg5  4  0.1525  0.5000  0.8886  1.0
  Hg  Hg6  4  0.2149  0.5000  0.3829  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]