data_[Ga6Au26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.3519]
_cell_length_b [9.0526]
_cell_length_c [10.0154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ga3Au13]
_chemical_formula_sum '[Ga6 Au26]'
_cell_volume [575.8973]
_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
[
  Ga  Ga0  4  0.2527  0.0000  0.0231  1
  Ga  Ga1  2  0.0000  0.0000  0.3067  1
  Au  Au2  8  0.2394  0.2307  0.2120  1
  Au  Au3  4  0.0000  0.2389  0.9640  1
  Au  Au4  4  0.2478  0.0000  0.5386  1
  Au  Au5  4  0.5000  0.2376  0.9686  1
  Au  Au6  2  0.0000  0.0000  0.7804  1
  Au  Au7  2  0.5000  0.0000  0.2972  1
  Au  Au8  2  0.5000  0.0000  0.7792  1
]