data_[Cd4Ag6Hg2]
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 [Pmc2_1]
_cell_length_a [4.9202]
_cell_length_b [9.0365]
_cell_length_c [5.3935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Cd2Ag3Hg]
_chemical_formula_sum '[Cd4 Ag6 Hg2]'
_cell_volume [239.8076]
_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  2  0.0000  0.2557  0.9419  1.0
  Cd  Cd1  2  0.5000  0.4156  0.1341  1.0
  Ag  Ag2  2  0.0000  0.4210  0.4539  1.0
  Ag  Ag3  2  0.5000  0.0827  0.1071  1.0
  Ag  Ag4  2  0.5000  0.2496  0.6218  1.0
  Hg  Hg5  2  0.0000  0.0905  0.4425  1.0
]