data_[Cd24Ag4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2606]
_cell_length_b [9.0829]
_cell_length_c [7.3751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd12Ag2Hg5]
_chemical_formula_sum '[Cd24 Ag4 Hg10]'
_cell_volume [888.2628]
_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  0.1149  0.2798  0.3425  1.0
  Cd  Cd1  8  0.1598  0.1964  0.7665  1.0
  Cd  Cd2  4  0.0517  0.5000  0.6842  1.0
  Cd  Cd3  4  0.0941  0.0000  0.1021  1.0
  Ag  Ag4  4  0.0000  0.3015  0.0000  1.0
  Hg  Hg5  4  0.1885  0.5000  0.0223  1.0
  Hg  Hg6  4  0.2381  0.0000  0.4491  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]