data_[Cd8Sn2Hg2]
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 [P2_1/m]
_cell_length_a [6.0462]
_cell_length_b [6.1248]
_cell_length_c [8.5407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd4SnHg]
_chemical_formula_sum '[Cd8 Sn2 Hg2]'
_cell_volume [298.8260]
_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  0.2586  0.5019  0.1754  1.0
  Cd  Cd1  2  0.1706  0.2500  0.4686  1.0
  Cd  Cd2  2  0.2649  0.7500  0.8615  1.0
  Sn  Sn3  2  0.2327  0.2500  0.8398  1.0
  Hg  Hg4  2  0.3212  0.7500  0.5170  1.0
]