data_[Na12Hg24Bi4]
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 [Cmc2_1]
_cell_length_a [10.1759]
_cell_length_b [12.8598]
_cell_length_c [8.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na3Hg6Bi]
_chemical_formula_sum '[Na12 Hg24 Bi4]'
_cell_volume [1164.0841]
_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  0.1880  0.1433  0.4496  1
  Na  Na1  4  0.0000  0.3889  0.3370  1
  Hg  Hg2  8  0.1665  0.1219  0.8407  1
  Hg  Hg3  8  0.1998  0.4495  0.6397  1
  Hg  Hg4  4  0.0000  0.1658  0.1642  1
  Hg  Hg5  4  0.0000  0.2705  0.6515  1
  Bi  Bi6  4  0.0000  0.3793  0.9726  1
]