data_[Na6Hg6Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.0047]
_cell_length_b [9.0047]
_cell_length_c [5.4502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Na3Hg3Bi]
_chemical_formula_sum '[Na6 Hg6 Bi2]'
_cell_volume [382.7261]
_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  6  0.0904  0.6303  0.2500  1
  Hg  Hg1  6  0.0331  0.7998  0.7500  1
  Bi  Bi2  2  0.3333  0.6667  0.7500  1
]