data_[Hg1H6S2N2]
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
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2216]
_cell_length_b [5.6754]
_cell_length_c [7.0255]
_cell_angle_alpha [90.4951]
_cell_angle_beta [101.7605]
_cell_angle_gamma [110.8742]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgH6(SN)2]
_chemical_formula_sum '[Hg1 H6 S2 N2]'
_cell_volume [153.3689]
_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  0.0000  0.5000  0.5000  1.0
  H  H1  2  0.1253  0.9235  0.8355  1.0
  H  H2  2  0.1295  0.7414  0.0171  1.0
  H  H3  2  0.2354  0.2967  0.1404  1.0
  S  S4  2  0.4800  0.8391  0.4165  1.0
  N  N5  2  0.0241  0.7419  0.8722  1.0
]