data_[Hg2H2I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4621]
_cell_length_b [4.4618]
_cell_length_c [11.4195]
_cell_angle_alpha [89.5513]
_cell_angle_beta [89.4612]
_cell_angle_gamma [60.0293]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgHI]
_chemical_formula_sum '[Hg2 H2 I2]'
_cell_volume [196.9387]
_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  0.7251  0.1912  0.4007  1.0
  Hg  Hg1  1  0.7335  0.1973  0.1663  1.0
  H  H2  1  0.6822  0.1803  0.8024  1.0
  H  H3  1  0.7812  0.2381  0.7638  1.0
  I  I4  1  0.0577  0.5245  0.5431  1.0
  I  I5  1  0.0677  0.5308  0.0240  1.0
]