data_[Na4Hg2Ge2S8]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.3501]
_cell_length_b [6.3501]
_cell_length_c [10.3422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Na2HgGeS4]
_chemical_formula_sum '[Na4 Hg2 Ge2 S8]'
_cell_volume [417.0401]
_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  1.0
  Na  Na1  2  0.0000  0.5000  0.7500  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  2  0.0000  0.5000  0.2500  1.0
  S  S4  8  0.2016  0.2800  0.1341  1.0
]