data_[Ga4Au4]
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 [Cm]
_cell_length_a [8.2645]
_cell_length_b [3.5992]
_cell_length_c [6.6215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaAu]
_chemical_formula_sum '[Ga4 Au4]'
_cell_volume [155.3957]
_cell_formula_units_Z [4]
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  0.1436  0.0000  0.2313  1.0
  Ga  Ga1  2  0.4487  0.5000  0.6915  1.0
  Au  Au2  2  0.0522  0.5000  0.4570  1.0
  Au  Au3  2  0.2394  0.5000  0.9997  1.0
]