data_[Al6Fe4Cu4]
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 [Cmmm]
_cell_length_a [2.9559]
_cell_length_b [21.0058]
_cell_length_c [2.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Al3(FeCu)2]
_chemical_formula_sum '[Al6 Fe4 Cu4]'
_cell_volume [176.5920]
_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  4  0.0000  0.1311  0.0000  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.0000  0.4316  0.5000  1
  Cu  Cu3  4  0.0000  0.2966  0.5000  1
]