data_[Na12Hg6Sb2]
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 [P2_1/m]
_cell_length_a [9.7565]
_cell_length_b [5.2086]
_cell_length_c [11.9814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6Hg3Sb]
_chemical_formula_sum '[Na12 Hg6 Sb2]'
_cell_volume [568.8449]
_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  0.0696  0.2500  0.9173  1.0
  Na  Na1  2  0.1262  0.7500  0.7385  1.0
  Na  Na2  2  0.1460  0.2500  0.5253  1.0
  Na  Na3  2  0.2170  0.2500  0.2489  1.0
  Na  Na4  2  0.4381  0.7500  0.3792  1.0
  Na  Na5  2  0.4685  0.2500  0.0837  1.0
  Hg  Hg6  2  0.2589  0.7500  0.0593  1.0
  Hg  Hg7  2  0.3634  0.2500  0.7967  1.0
  Hg  Hg8  2  0.3837  0.7500  0.6282  1.0
  Sb  Sb9  2  0.1079  0.7500  0.3608  1.0
]