data_[Na12Cd4Hg12]
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 [Cmcm]
_cell_length_a [4.1916]
_cell_length_b [11.6889]
_cell_length_c [15.9711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3CdHg3]
_chemical_formula_sum '[Na12 Cd4 Hg12]'
_cell_volume [782.5106]
_cell_formula_units_Z [4]
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  8  0.0000  0.1804  0.5983  1
  Na  Na1  4  0.0000  0.4608  0.7500  1
  Cd  Cd2  4  0.0000  0.5000  0.0000  1
  Hg  Hg3  8  0.0000  0.1084  0.1040  1
  Hg  Hg4  4  0.0000  0.2722  0.2500  1
]