data_[Ga13Au2]
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 [P-1]
_cell_length_a [5.4969]
_cell_length_b [6.3027]
_cell_length_c [8.7573]
_cell_angle_alpha [71.4340]
_cell_angle_beta [82.9481]
_cell_angle_gamma [87.6531]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga13Au2]
_chemical_formula_sum '[Ga13 Au2]'
_cell_volume [285.4369]
_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
[
  Ga  Ga0  2  0.0536  0.4627  0.6921  1.0
  Ga  Ga1  2  0.2142  0.2287  0.1889  1.0
  Ga  Ga2  2  0.2278  0.0235  0.6107  1.0
  Ga  Ga3  2  0.2731  0.6395  0.9222  1.0
  Ga  Ga4  2  0.4428  0.2027  0.8819  1.0
  Ga  Ga5  2  0.4523  0.3976  0.3749  1.0
  Ga  Ga6  1  0.0000  0.0000  0.0000  1.0
  Au  Au7  2  0.2494  0.8016  0.3849  1.0
]