data_[Al2Cu4Ni1]
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 [P3m1]
_cell_length_a [2.6467]
_cell_length_b [2.6467]
_cell_length_c [15.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Al2Cu4Ni]
_chemical_formula_sum '[Al2 Cu4 Ni1]'
_cell_volume [92.3561]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.3853  1
  Al  Al1  1  0.6667  0.3333  0.0824  1
  Cu  Cu2  1  0.0000  0.0000  0.5220  1
  Cu  Cu3  1  0.0000  0.0000  0.9444  1
  Cu  Cu4  1  0.6667  0.3333  0.2480  1
  Cu  Cu5  1  0.6667  0.3333  0.8084  1
  Ni  Ni6  1  0.0000  0.0000  0.6775  1
]