data_[Cd4In10Hg10]
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 [13.7257]
_cell_length_b [4.8722]
_cell_length_c [10.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2(InHg)5]
_chemical_formula_sum '[Cd4 In10 Hg10]'
_cell_volume [636.1084]
_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  0.0858  0.0000  0.7552  1.0
  In  In1  4  0.0947  0.5000  0.2595  1.0
  In  In2  4  0.1625  0.5000  0.9934  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  4  0.1584  0.0000  0.4967  1.0
  Hg  Hg5  4  0.2451  0.5000  0.7454  1.0
  Hg  Hg6  2  0.0000  0.0000  0.0000  1.0
]