data_[Au4I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [12.0452]
_cell_length_b [12.0452]
_cell_length_c [15.0260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Au4I9]
_chemical_formula_sum '[Au4 I9]'
_cell_volume [1888.0103]
_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
[
  Au  Au0  3  0.0000  0.2489  0.0000  1
  Au  Au1  1  0.0000  0.0000  0.0000  1
  I  I2  6  0.1681  0.5056  0.0000  1
  I  I3  3  0.0000  0.7725  0.0000  1
]