data_[Zn2Hg2C8S8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [11.2739]
_cell_length_b [11.2739]
_cell_length_c [4.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [ZnHgC4(SN)4]
_chemical_formula_sum '[Zn2 Hg2 C8 S8 N8]'
_cell_volume [604.2886]
_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
[
  Zn  Zn0  2  0.0000  0.5000  0.7500  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  C  C2  8  0.0754  0.2771  0.1053  1
  S  S3  8  0.1171  0.1606  0.2858  1
  N  N4  8  0.0475  0.3628  0.9806  1
]