data_[Na36Hg18Bi3]
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 [R-3]
_cell_length_a [11.5558]
_cell_length_b [11.5558]
_cell_length_c [14.4408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12Hg6Bi]
_chemical_formula_sum '[Na36 Hg18 Bi3]'
_cell_volume [1670.0162]
_cell_formula_units_Z [3]
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  18  0.0326  0.8408  0.8234  1.0
  Na  Na1  18  0.0554  0.2150  0.4101  1.0
  Hg  Hg2  18  0.0178  0.5918  0.7111  1.0
  Bi  Bi3  3  0.0000  0.0000  0.0000  1.0
]