data_[Hg4H4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6370]
_cell_length_b [2.5000]
_cell_length_c [7.9466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgHN]
_chemical_formula_sum '[Hg4 H4 N4]'
_cell_volume [197.9487]
_cell_formula_units_Z [4]
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  2  0.0774  0.5000  0.0922  1
  Hg  Hg1  2  0.4713  0.5000  0.4646  1
  H  H2  2  0.0269  0.0000  0.2957  1
  H  H3  2  0.4103  0.0000  0.5771  1
  N  N4  2  0.2318  0.5000  0.7773  1
  N  N5  2  0.3056  0.0000  0.8532  1
]