data_[Na6Cd1Hg6]
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 [P6/mmm]
_cell_length_a [6.3098]
_cell_length_b [6.3098]
_cell_length_c [10.7835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Na6CdHg6]
_chemical_formula_sum '[Na6 Cd1 Hg6]'
_cell_volume [371.8047]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.3171  1.0
  Na  Na1  2  0.3333  0.6667  0.0000  1.0
  Na  Na2  2  0.3333  0.6667  0.5000  1.0
  Cd  Cd3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  6  0.0000  0.5000  0.2491  1.0
]