data_[Na12Hg4Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.4302]
_cell_length_b [12.5751]
_cell_length_c [9.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3HgSb2]
_chemical_formula_sum '[Na12 Hg4 Sb8]'
_cell_volume [761.0947]
_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  0.0000  0.2011  0.2500  1.0
  Na  Na1  4  0.0000  0.5000  0.2500  1.0
  Hg  Hg2  4  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  8  0.1763  0.6453  0.0000  1.0
]