data_[Cd6Ag1Hg1]
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 [P-1]
_cell_length_a [5.5574]
_cell_length_b [5.6322]
_cell_length_c [5.8643]
_cell_angle_alpha [95.1990]
_cell_angle_beta [94.0496]
_cell_angle_gamma [91.5804]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd6AgHg]
_chemical_formula_sum '[Cd6 Ag1 Hg1]'
_cell_volume [182.2360]
_cell_formula_units_Z [1]
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  2  0.0009  0.2536  0.5256  1.0
  Cd  Cd1  2  0.2548  0.4879  0.0472  1.0
  Cd  Cd2  2  0.4792  0.0103  0.7463  1.0
  Ag  Ag3  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg4  1  0.0000  0.0000  0.0000  1.0
]