data_[In6Au26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.9675]
_cell_length_b [7.8416]
_cell_length_c [8.6258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [In3Au13]
_chemical_formula_sum '[In6 Au26]'
_cell_volume [606.5682]
_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
[
  In  In0  4  0.2638  0.0000  0.9808  1.0
  In  In1  2  0.0000  0.0000  0.2996  1.0
  Au  Au2  8  0.2519  0.2365  0.2473  1.0
  Au  Au3  4  0.0000  0.2187  0.0256  1.0
  Au  Au4  4  0.2446  0.0000  0.5116  1.0
  Au  Au5  4  0.5000  0.2333  0.4809  1.0
  Au  Au6  2  0.0000  0.0000  0.7512  1.0
  Au  Au7  2  0.5000  0.0000  0.2225  1.0
  Au  Au8  2  0.5000  0.0000  0.7397  1.0
]