data_[Hg2Au4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.4745]
_cell_length_b [6.4745]
_cell_length_c [13.0975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Hg(AuI2)2]
_chemical_formula_sum '[Hg2 Au4 I8]'
_cell_volume [549.0387]
_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  2  0.0000  0.0000  0.0000  1.0
  Au  Au1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.0000  0.5000  0.7500  1.0
  I  I3  8  0.2385  0.2524  0.3694  1.0
]