data_[Al5Fe4Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8979]
_cell_length_b [2.8979]
_cell_length_c [14.3866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Al5Fe4Cu]
_chemical_formula_sum '[Al5 Fe4 Cu1]'
_cell_volume [120.8162]
_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  0.1106  1.0
  Al  Al1  2  0.5000  0.5000  0.3011  1.0
  Al  Al2  1  0.5000  0.5000  0.5000  1.0
  Fe  Fe3  2  0.0000  0.0000  0.2022  1.0
  Fe  Fe4  2  0.0000  0.0000  0.4020  1.0
  Cu  Cu5  1  0.0000  0.0000  0.0000  1.0
]