data_[Na2Hg2Sb2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4337]
_cell_length_b [3.9274]
_cell_length_c [10.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaHgSbS3]
_chemical_formula_sum '[Na2 Hg2 Sb2 S6]'
_cell_volume [304.5306]
_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  0.0988  0.2500  0.2278  1.0
  Hg  Hg1  2  0.2915  0.2500  0.5444  1.0
  Sb  Sb2  2  0.4386  0.7500  0.8415  1.0
  S  S3  2  0.1979  0.2500  0.7749  1.0
  S  S4  2  0.3057  0.7500  0.3900  1.0
  S  S5  2  0.3195  0.7500  0.0616  1.0
]