data_[Na4Hg3Bi1]
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 [Pmm2]
_cell_length_a [3.5430]
_cell_length_b [5.1975]
_cell_length_c [12.2961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Na4Hg3Bi]
_chemical_formula_sum '[Na4 Hg3 Bi1]'
_cell_volume [226.4248]
_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  1  0.0000  0.0000  0.1588  1.0
  Na  Na1  1  0.0000  0.5000  0.8436  1.0
  Na  Na2  1  0.5000  0.0000  0.6570  1.0
  Na  Na3  1  0.5000  0.5000  0.3451  1.0
  Hg  Hg4  1  0.0000  0.0000  0.4281  1.0
  Hg  Hg5  1  0.0000  0.5000  0.5774  1.0
  Hg  Hg6  1  0.5000  0.0000  0.9124  1.0
  Bi  Bi7  1  0.5000  0.5000  0.0774  1.0
]