data_[Al4Cu6Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9822]
_cell_length_b [6.4105]
_cell_length_c [6.7428]
_cell_angle_alpha [82.3953]
_cell_angle_beta [69.6620]
_cell_angle_gamma [71.6434]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al2(CuNi)3]
_chemical_formula_sum '[Al4 Cu6 Ni6]'
_cell_volume [191.5925]
_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  0.1255  0.3960  0.7108  1.0
  Al  Al1  2  0.3861  0.3209  0.0372  1.0
  Cu  Cu2  2  0.1229  0.9170  0.2143  1.0
  Cu  Cu3  2  0.3689  0.8484  0.5356  1.0
  Cu  Cu4  2  0.3803  0.5335  0.3416  1.0
  Ni  Ni5  2  0.1210  0.2268  0.4052  1.0
  Ni  Ni6  2  0.1261  0.6992  0.9113  1.0
  Ni  Ni7  2  0.3715  0.0338  0.8396  1.0
]