data_[Cd8In6Hg10]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4730]
_cell_length_b [5.7609]
_cell_length_c [10.5605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd4In3Hg5]
_chemical_formula_sum '[Cd8 In6 Hg10]'
_cell_volume [663.6037]
_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  0.1451  0.0000  0.1120  1.0
  Cd  Cd1  4  0.2181  0.0000  0.4141  1.0
  In  In2  4  0.1788  0.5000  0.2672  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  4  0.0915  0.0000  0.8118  1.0
  Hg  Hg5  4  0.1019  0.5000  0.9267  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
]