data_[H2Au2I3]
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 [P-1]
_cell_length_a [5.2427]
_cell_length_b [6.7360]
_cell_length_c [6.9932]
_cell_angle_alpha [96.0051]
_cell_angle_beta [102.2491]
_cell_angle_gamma [102.2094]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H2Au2I3]
_chemical_formula_sum '[H2 Au2 I3]'
_cell_volume [232.9742]
_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
[
  H  H0  2  0.0480  0.0505  0.4649  1
  Au  Au1  2  0.2371  0.2396  0.3702  1
  I  I2  2  0.4293  0.4445  0.7492  1
  I  I3  1  0.0000  0.0000  0.0000  1
]