data_[Na6Hg6Bi1]
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/mmm]
_cell_length_a [6.3793]
_cell_length_b [6.3793]
_cell_length_c [10.6945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Na6Hg6Bi]
_chemical_formula_sum '[Na6 Hg6 Bi1]'
_cell_volume [376.9087]
_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  0.3079  1.0
  Na  Na1  2  0.3333  0.6667  0.0000  1.0
  Na  Na2  2  0.3333  0.6667  0.5000  1.0
  Hg  Hg3  6  0.0000  0.5000  0.2516  1.0
  Bi  Bi4  1  0.0000  0.0000  0.0000  1.0
]