data_[Al13Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9235]
_cell_length_b [6.3469]
_cell_length_c [8.4282]
_cell_angle_alpha [71.5948]
_cell_angle_beta [74.8947]
_cell_angle_gamma [81.2984]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al13Pd2]
_chemical_formula_sum '[Al13 Pd2]'
_cell_volume [240.5776]
_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  0.0532  0.4056  0.7264  1.0
  Al  Al1  2  0.2044  0.1932  0.2168  1.0
  Al  Al2  2  0.2625  0.6043  0.9342  1.0
  Al  Al3  2  0.3090  0.0068  0.6582  1.0
  Al  Al4  2  0.4114  0.4035  0.3993  1.0
  Al  Al5  2  0.4802  0.7983  0.1351  1.0
  Al  Al6  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd7  2  0.1651  0.7958  0.4589  1.0
]