data_[Al4Si36Ni64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [12.0776]
_cell_length_b [8.5532]
_cell_length_c [11.2859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [AlSi9Ni16]
_chemical_formula_sum '[Al4 Si36 Ni64]'
_cell_volume [1165.8544]
_cell_formula_units_Z [4]
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  0.2500  0.0335  0.3168  1
  Si  Si1  8  0.0936  0.0871  0.4988  1
  Si  Si2  8  0.1011  0.3054  0.3118  1
  Si  Si3  8  0.1058  0.3092  0.6877  1
  Si  Si4  8  0.1427  0.1579  0.0002  1
  Si  Si5  4  0.2500  0.0274  0.6912  1
  Ni  Ni6  8  0.0577  0.3677  0.1160  1
  Ni  Ni7  8  0.0593  0.3735  0.5000  1
  Ni  Ni8  8  0.0602  0.3663  0.8833  1
  Ni  Ni9  8  0.0757  0.0895  0.1935  1
  Ni  Ni10  8  0.0783  0.0861  0.8044  1
  Ni  Ni11  4  0.2500  0.2164  0.5213  1
  Ni  Ni12  4  0.2500  0.2442  0.8165  1
  Ni  Ni13  4  0.2500  0.2540  0.1871  1
  Ni  Ni14  4  0.2500  0.4205  0.0055  1
  Ni  Ni15  4  0.2500  0.4487  0.3872  1
  Ni  Ni16  4  0.2500  0.4673  0.6100  1
]