data_[Hg1H2N2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8933]
_cell_length_b [6.6162]
_cell_length_c [6.6856]
_cell_angle_alpha [113.1872]
_cell_angle_beta [109.7977]
_cell_angle_gamma [94.1137]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgH2(NO3)2]
_chemical_formula_sum '[Hg1 H2 N2 O6]'
_cell_volume [181.8644]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.0000  1
  H  H1  2  0.4602  0.1593  0.3089  1
  N  N2  2  0.0752  0.2063  0.3066  1
  O  O3  2  0.1551  0.3979  0.3340  1
  O  O4  2  0.1632  0.8877  0.7118  1
  O  O5  2  0.2762  0.0661  0.2903  1
]