data_[Hg2H8Br6N2]
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
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7626]
_cell_length_b [7.2225]
_cell_length_c [8.5815]
_cell_angle_alpha [90.2489]
_cell_angle_beta [104.4177]
_cell_angle_gamma [91.2237]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgH4Br3N]
_chemical_formula_sum '[Hg2 H8 Br6 N2]'
_cell_volume [405.8322]
_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  0.0596  0.5464  0.0494  1
  Hg  Hg1  1  0.0939  0.0388  0.5235  1
  H  H2  1  0.4582  0.4411  0.4663  1
  H  H3  1  0.5434  0.4704  0.6707  1
  H  H4  1  0.5470  0.6517  0.5488  1
  H  H5  1  0.5983  0.9712  0.8848  1
  H  H6  1  0.6935  0.1625  0.9943  1
  H  H7  1  0.6965  0.9534  0.0887  1
  H  H8  1  0.7108  0.4733  0.5564  1
  H  H9  1  0.8509  0.9900  0.9658  1
  Br  Br10  1  0.0579  0.3418  0.6690  1
  Br  Br11  1  0.1409  0.8432  0.9125  1
  Br  Br12  1  0.2415  0.2903  0.2312  1
  Br  Br13  1  0.4969  0.9704  0.5864  1
  Br  Br14  1  0.6518  0.4791  0.9682  1
  Br  Br15  1  0.8870  0.7865  0.3401  1
  N  N16  1  0.5639  0.5086  0.5592  1
  N  N17  1  0.7083  0.0193  0.9846  1
]