data_[Al4Cu2Ni10]
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 [Pbam]
_cell_length_a [5.0201]
_cell_length_b [10.0310]
_cell_length_c [3.6232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Al2CuNi5]
_chemical_formula_sum '[Al4 Cu2 Ni10]'
_cell_volume [182.4503]
_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  4  0.2325  0.1290  0.5000  1.0
  Cu  Cu1  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  4  0.0185  0.7499  0.0000  1.0
  Ni  Ni3  4  0.2376  0.3768  0.5000  1.0
  Ni  Ni4  2  0.0000  0.0000  0.0000  1.0
]