data_[H2Au2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5120]
_cell_length_b [4.5158]
_cell_length_c [9.2123]
_cell_angle_alpha [86.9850]
_cell_angle_beta [86.8833]
_cell_angle_gamma [60.6442]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HAuI]
_chemical_formula_sum '[H2 Au2 I2]'
_cell_volume [163.2852]
_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
[
  H  H0  1  0.2866  0.5800  0.5479  1.0
  H  H1  1  0.3641  0.6538  0.4923  1.0
  Au  Au2  1  0.0888  0.4456  0.0911  1.0
  Au  Au3  1  0.4740  0.8301  0.9500  1.0
  I  I4  1  0.6768  0.9957  0.2478  1.0
  I  I5  1  0.9305  0.2487  0.7920  1.0
]