data_[Ga8Au16]
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 [Cmc2_1]
_cell_length_a [3.3915]
_cell_length_b [18.0910]
_cell_length_c [7.0157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [GaAu2]
_chemical_formula_sum '[Ga8 Au16]'
_cell_volume [430.4544]
_cell_formula_units_Z [8]
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  0.0000  0.0591  0.6961  1.0
  Ga  Ga1  4  0.0000  0.2903  0.7251  1.0
  Au  Au2  4  0.0000  0.0851  0.3235  1.0
  Au  Au3  4  0.0000  0.1710  0.9495  1.0
  Au  Au4  4  0.0000  0.3239  0.0937  1.0
  Au  Au5  4  0.0000  0.4630  0.5001  1.0
]