data_[Na6Hg4Bi4]
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 [C2/m]
_cell_length_a [11.4888]
_cell_length_b [5.0527]
_cell_length_c [7.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(HgBi)2]
_chemical_formula_sum '[Na6 Hg4 Bi4]'
_cell_volume [425.2839]
_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  4  0.1531  0.5000  0.6116  1.0
  Na  Na1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.1922  0.0000  0.9347  1.0
  Bi  Bi3  4  0.0506  0.0000  0.3209  1.0
]