data_[Cd21Ag36Hg3]
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 [R-3]
_cell_length_a [13.6702]
_cell_length_b [13.6702]
_cell_length_c [7.7178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd7Ag12Hg]
_chemical_formula_sum '[Cd21 Ag36 Hg3]'
_cell_volume [1249.0326]
_cell_formula_units_Z [3]
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  18  0.0783  0.8711  0.7763  1
  Cd  Cd1  3  0.0000  0.0000  0.5000  1
  Ag  Ag2  18  0.0286  0.7321  0.0787  1
  Ag  Ag3  18  0.0910  0.8632  0.4004  1
  Hg  Hg4  3  0.0000  0.0000  0.0000  1
]