data_[Na1Hg2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5381]
_cell_length_b [8.4648]
_cell_length_c [9.3697]
_cell_angle_alpha [114.0813]
_cell_angle_beta [90.0319]
_cell_angle_gamma [103.4211]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na(HgS4)2]
_chemical_formula_sum '[Na1 Hg2 S8]'
_cell_volume [317.7801]
_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  0.5000  1
  Hg  Hg1  2  0.2984  0.6209  0.4335  1
  S  S2  2  0.1430  0.2881  0.4139  1
  S  S3  2  0.2559  0.7656  0.0897  1
  S  S4  2  0.3701  0.0146  0.1058  1
  S  S5  2  0.4454  0.2673  0.7658  1
]