data_[Cd12Ag4Hg4]
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 [5.8958]
_cell_length_b [8.2140]
_cell_length_c [9.6523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3AgHg]
_chemical_formula_sum '[Cd12 Ag4 Hg4]'
_cell_volume [461.3648]
_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  0.0902  0.2508  0.8639  1
  Cd  Cd1  4  0.0000  0.2504  0.5000  1
  Ag  Ag2  4  0.2044  0.0000  0.3150  1
  Hg  Hg3  4  0.2037  0.5000  0.3124  1
]