data_[Hg2I6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8600]
_cell_length_b [9.1523]
_cell_length_c [9.7439]
_cell_angle_alpha [64.6304]
_cell_angle_beta [88.4445]
_cell_angle_gamma [82.5236]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgI3N2]
_chemical_formula_sum '[Hg2 I6 N4]'
_cell_volume [388.0849]
_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  2  0.3149  0.7954  0.9214  1
  I  I1  2  0.1556  0.2109  0.3579  1
  I  I2  2  0.2326  0.8800  0.2591  1
  I  I3  2  0.3627  0.4227  0.8260  1
  N  N4  2  0.0478  0.9420  0.7106  1
  N  N5  2  0.1544  0.6644  0.6021  1
]