data_[Cd8Ag4Hg2]
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 [P2_1/m]
_cell_length_a [7.5148]
_cell_length_b [5.8387]
_cell_length_c [7.8557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd4Ag2Hg]
_chemical_formula_sum '[Cd8 Ag4 Hg2]'
_cell_volume [306.6124]
_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  4  0.4160  0.0021  0.7730  1.0
  Cd  Cd1  2  0.0223  0.7500  0.5601  1.0
  Cd  Cd2  2  0.0700  0.2500  0.8456  1.0
  Ag  Ag3  2  0.2120  0.7500  0.9861  1.0
  Ag  Ag4  2  0.3641  0.7500  0.4133  1.0
  Hg  Hg5  2  0.2359  0.2500  0.2607  1.0
]