data_[Ga6Au6]
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 [Pmn2_1]
_cell_length_a [13.7052]
_cell_length_b [3.7505]
_cell_length_c [4.3701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GaAu]
_chemical_formula_sum '[Ga6 Au6]'
_cell_volume [224.6267]
_cell_formula_units_Z [6]
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  0.1683  0.5073  0.6650  1.0
  Ga  Ga1  2  0.0000  0.1429  0.4128  1.0
  Au  Au2  4  0.1761  0.0242  0.1767  1.0
  Au  Au3  2  0.0000  0.6844  0.9058  1.0
]