data_[Al6Cu6Ni4]
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 [P-1]
_cell_length_a [5.0806]
_cell_length_b [6.4278]
_cell_length_c [6.6458]
_cell_angle_alpha [78.9174]
_cell_angle_beta [73.6479]
_cell_angle_gamma [75.3007]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al3Cu3Ni2]
_chemical_formula_sum '[Al6 Cu6 Ni4]'
_cell_volume [199.7250]
_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  0.1110  0.2115  0.4439  1.0
  Al  Al1  2  0.1544  0.6675  0.9509  1.0
  Al  Al2  2  0.3936  0.0709  0.8103  1.0
  Cu  Cu3  2  0.0992  0.9568  0.1848  1.0
  Cu  Cu4  2  0.3609  0.5753  0.3036  1.0
  Cu  Cu5  2  0.3814  0.8023  0.5730  1.0
  Ni  Ni6  2  0.1395  0.4333  0.6984  1.0
  Ni  Ni7  2  0.3526  0.2974  0.0769  1.0
]