data_[Cd8In4Hg6]
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 [10.4570]
_cell_length_b [4.9046]
_cell_length_c [9.0402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd4In2Hg3]
_chemical_formula_sum '[Cd8 In4 Hg6]'
_cell_volume [448.0437]
_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  0.0157  0.0000  0.6687  1
  Cd  Cd1  4  0.1772  0.5000  0.8940  1
  In  In2  4  0.1502  0.5000  0.2227  1
  Hg  Hg3  4  0.1699  0.5000  0.5631  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]