data_[Al5Ni4Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9284]
_cell_length_b [2.9284]
_cell_length_c [15.1231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Al5Ni4Au]
_chemical_formula_sum '[Al5 Ni4 Au1]'
_cell_volume [129.6843]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.1252  1.0
  Al  Al1  2  0.5000  0.5000  0.3122  1.0
  Al  Al2  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.2171  1.0
  Ni  Ni4  2  0.0000  0.0000  0.4065  1.0
  Au  Au5  1  0.0000  0.0000  0.0000  1.0
]