data_[Na4Hg4S6]
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 [C2/m]
_cell_length_a [13.7008]
_cell_length_b [4.1622]
_cell_length_c [6.9097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Hg2S3]
_chemical_formula_sum '[Na4 Hg4 S6]'
_cell_volume [369.6923]
_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  4  0.1101  0.5000  0.8782  1.0
  Hg  Hg1  4  0.1643  0.0000  0.3159  1.0
  S  S2  4  0.2122  0.0000  0.7093  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
]