data_[Al6Ga2Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9926]
_cell_length_b [8.7014]
_cell_length_c [5.2635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al3GaAu7]
_chemical_formula_sum '[Al6 Ga2 Au14]'
_cell_volume [407.0789]
_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
[
  Al  Al0  4  0.0000  0.1984  0.0000  1
  Al  Al1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  2  0.0000  0.5000  0.5000  1
  Au  Au3  8  0.2197  0.1760  0.7284  1
  Au  Au4  4  0.2070  0.0000  0.2130  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]