data_[Cd16Sn2Hg4]
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 [C2/m]
_cell_length_a [8.8925]
_cell_length_b [13.4117]
_cell_length_c [6.0417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.2566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8SnHg2]
_chemical_formula_sum '[Cd16 Sn2 Hg4]'
_cell_volume [557.9410]
_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  8  0.2074  0.1126  0.0993  1.0
  Cd  Cd1  4  0.0000  0.2262  0.5000  1.0
  Cd  Cd2  4  0.0967  0.5000  0.3319  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.0000  0.3072  0.0000  1.0
]