data_[Hg8N8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6359]
_cell_length_b [6.9126]
_cell_length_c [10.2735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HgNCl]
_chemical_formula_sum '[Hg8 N8 Cl8]'
_cell_volume [542.2780]
_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  0.0000  0.0000  1
  Hg  Hg1  4  0.0000  0.0000  0.5000  1
  N  N2  4  0.0017  0.2500  0.6173  1
  N  N3  4  0.1317  0.2500  0.0677  1
  Cl  Cl4  4  0.1222  0.2500  0.2410  1
  Cl  Cl5  4  0.1926  0.2500  0.7183  1
]