data_[Hg8S24N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.4496]
_cell_length_b [10.7037]
_cell_length_c [6.9857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgS3N]
_chemical_formula_sum '[Hg8 S24 N8]'
_cell_volume [1226.7581]
_cell_formula_units_Z [8]
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
[
  Hg  Hg0  4  0.0000  0.1214  0.7500  1
  Hg  Hg1  4  0.0000  0.4562  0.7500  1
  S  S2  8  0.0924  0.1443  0.0364  1
  S  S3  8  0.1814  0.0975  0.5678  1
  S  S4  8  0.2427  0.1033  0.8280  1
  N  N5  8  0.1776  0.0591  0.9978  1
]