data_[Na4Hg2W2S8]
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
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.1625]
_cell_length_b [6.1625]
_cell_length_c [12.9354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Na2HgWS4]
_chemical_formula_sum '[Na4 Hg2 W2 S8]'
_cell_volume [491.2417]
_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  0.0000  0.0000  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.2500  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  W  W3  2  0.0000  0.5000  0.7500  1
  S  S4  8  0.1826  0.2709  0.6512  1
]