data_[Al4Pt2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0436]
_cell_length_b [3.2857]
_cell_length_c [4.3868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2PtAu]
_chemical_formula_sum '[Al4 Pt2 Au2]'
_cell_volume [126.4393]
_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  2  0.2514  0.5000  0.2919  1.0
  Al  Al1  2  0.4929  0.5000  0.9423  1.0
  Pt  Pt2  2  0.2605  0.0000  0.8179  1.0
  Au  Au3  2  0.4952  0.0000  0.4479  1.0
]