data_[Na12Hg6Bi2]
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 [P2_1/m]
_cell_length_a [9.1058]
_cell_length_b [5.4048]
_cell_length_c [12.1535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6Hg3Bi]
_chemical_formula_sum '[Na12 Hg6 Bi2]'
_cell_volume [555.5783]
_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  2  0.0928  0.2500  0.2389  1
  Na  Na1  2  0.1061  0.2500  0.7212  1
  Na  Na2  2  0.1200  0.7500  0.0763  1
  Na  Na3  2  0.3018  0.2500  0.5252  1
  Na  Na4  2  0.3503  0.7500  0.8944  1
  Na  Na5  2  0.4965  0.2500  0.3332  1
  Hg  Hg6  2  0.0985  0.7500  0.5654  1
  Hg  Hg7  2  0.2755  0.2500  0.0313  1
  Hg  Hg8  2  0.4934  0.2500  0.8194  1
  Bi  Bi9  2  0.2912  0.7500  0.3593  1
]