data_[Cu2Pd13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8238]
_cell_length_b [6.7944]
_cell_length_c [7.3352]
_cell_angle_alpha [71.9090]
_cell_angle_beta [83.8486]
_cell_angle_gamma [89.8796]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu2Pd13]
_chemical_formula_sum '[Cu2 Pd13]'
_cell_volume [227.0860]
_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
[
  Cu  Cu0  2  0.0680  0.1329  0.5995  1.0
  Pd  Pd1  2  0.1323  0.2594  0.2078  1.0
  Pd  Pd2  2  0.1989  0.3980  0.7987  1.0
  Pd  Pd3  2  0.2633  0.5318  0.4009  1.0
  Pd  Pd4  2  0.3345  0.6672  0.9985  1.0
  Pd  Pd5  2  0.3926  0.8041  0.5959  1.0
  Pd  Pd6  2  0.4669  0.9320  0.2029  1.0
  Pd  Pd7  1  0.0000  0.0000  0.0000  1.0
]