data_[Al2Cu4Ni8]
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 [P2_1/m]
_cell_length_a [5.5171]
_cell_length_b [3.6060]
_cell_length_c [8.0027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al(CuNi2)2]
_chemical_formula_sum '[Al2 Cu4 Ni8]'
_cell_volume [158.1940]
_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  0.2951  0.2500  0.1819  1.0
  Cu  Cu1  2  0.1435  0.7500  0.9610  1.0
  Cu  Cu2  2  0.4325  0.7500  0.3967  1.0
  Ni  Ni3  2  0.0056  0.7500  0.2522  1.0
  Ni  Ni4  2  0.1392  0.2500  0.4652  1.0
  Ni  Ni5  2  0.2780  0.7500  0.6783  1.0
  Ni  Ni6  2  0.4253  0.2500  0.8902  1.0
]