data_[Al4Cu4Ni4]
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 [C2/m]
_cell_length_a [8.4076]
_cell_length_b [3.3699]
_cell_length_c [5.4794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlCuNi]
_chemical_formula_sum '[Al4 Cu4 Ni4]'
_cell_volume [146.4860]
_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  0.0043  0.5000  0.2634  1
  Cu  Cu1  4  0.1660  0.0000  0.0848  1
  Ni  Ni2  4  0.1639  0.0000  0.5844  1
]