data_[Na12Cd2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0556]
_cell_length_b [3.4753]
_cell_length_c [13.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6CdHg3]
_chemical_formula_sum '[Na12 Cd2 Hg6]'
_cell_volume [586.1649]
_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
[
  Na  Na0  2  0.0549  0.7500  0.8117  1.0
  Na  Na1  2  0.0983  0.7500  0.4260  1.0
  Na  Na2  2  0.2384  0.2500  0.2313  1.0
  Na  Na3  2  0.3159  0.7500  0.7708  1.0
  Na  Na4  2  0.3616  0.2500  0.5208  1.0
  Na  Na5  2  0.4519  0.7500  0.1076  1.0
  Cd  Cd6  2  0.2640  0.2500  0.9687  1.0
  Hg  Hg7  2  0.0997  0.7500  0.0629  1.0
  Hg  Hg8  2  0.1472  0.2500  0.6286  1.0
  Hg  Hg9  2  0.4743  0.2500  0.3203  1.0
]