data_[Al2Cu28Ni2]
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 [Amm2]
_cell_length_a [8.4032]
_cell_length_b [5.0946]
_cell_length_c [8.9493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlCu14Ni]
_chemical_formula_sum '[Al2 Cu28 Ni2]'
_cell_volume [383.1239]
_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  0.5000  0.0000  0.4599  1
  Cu  Cu1  8  0.2499  0.2486  0.8749  1
  Cu  Cu2  4  0.0000  0.2496  0.5399  1
  Cu  Cu3  4  0.2493  0.0000  0.6251  1
  Cu  Cu4  4  0.2504  0.0000  0.1243  1
  Cu  Cu5  4  0.5000  0.2490  0.7105  1
  Cu  Cu6  2  0.0000  0.0000  0.2901  1
  Cu  Cu7  2  0.0000  0.0000  0.7897  1
  Ni  Ni8  2  0.5000  0.0000  0.9609  1
]