data_[Al4Cu16Ni4]
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 [Cmcm]
_cell_length_a [2.5990]
_cell_length_b [14.5395]
_cell_length_c [7.7744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AlCu4Ni]
_chemical_formula_sum '[Al4 Cu16 Ni4]'
_cell_volume [293.7799]
_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  0.0000  0.2462  0.7500  1
  Cu  Cu1  8  0.0000  0.1667  0.0209  1
  Cu  Cu2  4  0.0000  0.0000  0.0000  1
  Cu  Cu3  4  0.0000  0.4268  0.7500  1
  Ni  Ni4  4  0.0000  0.4012  0.2500  1
]