data_[Cd8Sn4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2216]
_cell_length_b [10.2456]
_cell_length_c [18.4512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cd4Sn2Hg5]
_chemical_formula_sum '[Cd8 Sn4 Hg10]'
_cell_volume [609.0200]
_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  0.0000  0.2425  0.5000  1.0
  Cd  Cd1  4  0.0000  0.5000  0.2482  1.0
  Sn  Sn2  4  0.0000  0.5000  0.0856  1.0
  Hg  Hg3  8  0.0000  0.2677  0.3380  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
]