data_[Cd20Ag4Hg12]
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 [11.4841]
_cell_length_b [8.4322]
_cell_length_c [10.1172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd5AgHg3]
_chemical_formula_sum '[Cd20 Ag4 Hg12]'
_cell_volume [968.1844]
_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  0.1073  0.1936  0.7586  1
  Cd  Cd1  4  0.0000  0.3284  0.0000  1
  Cd  Cd2  4  0.0230  0.5000  0.6517  1
  Cd  Cd3  4  0.2237  0.5000  0.9071  1
  Ag  Ag4  4  0.1107  0.0000  0.2690  1
  Hg  Hg5  4  0.1798  0.5000  0.1951  1
  Hg  Hg6  4  0.2251  0.5000  0.4962  1
  Hg  Hg7  2  0.0000  0.0000  0.0000  1
  Hg  Hg8  2  0.0000  0.0000  0.5000  1
]