data_[Hg6N4]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.8755]
_cell_length_b [18.3678]
_cell_length_c [18.3678]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hg3N2]
_chemical_formula_sum '[Hg6 N4]'
_cell_volume [2885.3604]
_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
[
  Hg  Hg0  1  0.0820  0.1048  0.6088  1
  Hg  Hg1  1  0.1435  0.9130  0.4732  1
  Hg  Hg2  1  0.4181  0.0420  0.5374  1
  Hg  Hg3  1  0.6669  0.9303  0.4057  1
  Hg  Hg4  1  0.7587  0.1144  0.5688  1
  Hg  Hg5  1  0.9384  0.8298  0.3724  1
  N  N6  1  0.2383  0.0190  0.5786  1
  N  N7  1  0.6001  0.0516  0.4873  1
  N  N8  1  0.7367  0.8107  0.3232  1
  N  N9  1  0.9173  0.1843  0.6446  1
]