data_[Al2Cu13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5989]
_cell_length_b [5.8924]
_cell_length_c [6.3799]
_cell_angle_alpha [67.9607]
_cell_angle_beta [70.8778]
_cell_angle_gamma [83.8321]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al2Cu13]
_chemical_formula_sum '[Al2 Cu13]'
_cell_volume [184.3052]
_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  2  0.1400  0.4653  0.7893  1.0
  Cu  Cu1  2  0.0679  0.7379  0.3980  1.0
  Cu  Cu2  2  0.1981  0.2011  0.1986  1.0
  Cu  Cu3  2  0.2680  0.9339  0.5985  1.0
  Cu  Cu4  2  0.3319  0.6663  0.9999  1.0
  Cu  Cu5  2  0.3984  0.3984  0.3984  1.0
  Cu  Cu6  2  0.4678  0.1300  0.8011  1.0
  Cu  Cu7  1  0.0000  0.0000  0.0000  1.0
]