data_[Cd1In6Ag1Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1659]
_cell_length_b [6.1900]
_cell_length_c [7.0737]
_cell_angle_alpha [82.0737]
_cell_angle_beta [84.0564]
_cell_angle_gamma [78.5926]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdIn6AgHg2]
_chemical_formula_sum '[Cd1 In6 Ag1 Hg2]'
_cell_volume [261.3082]
_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  1  0.1224  0.2063  0.1816  1.0
  In  In1  1  0.1652  0.3857  0.7624  1.0
  In  In2  1  0.3244  0.9479  0.5394  1.0
  In  In3  1  0.4233  0.8250  0.9927  1.0
  In  In4  1  0.6487  0.2558  0.0478  1.0
  In  In5  1  0.7840  0.1341  0.5396  1.0
  In  In6  1  0.8840  0.6876  0.3210  1.0
  Ag  Ag7  1  0.6600  0.5615  0.6947  1.0
  Hg  Hg8  1  0.3855  0.5079  0.3639  1.0
  Hg  Hg9  1  0.9409  0.8266  0.8953  1.0
]