data_[Si2Pd13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0527]
_cell_length_b [6.5294]
_cell_length_c [7.5178]
_cell_angle_alpha [69.2384]
_cell_angle_beta [79.2036]
_cell_angle_gamma [80.9332]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Si2Pd13]
_chemical_formula_sum '[Si2 Pd13]'
_cell_volume [226.6841]
_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
[
  Si  Si0  2  0.1712  0.7845  0.4348  1
  Pd  Pd1  2  0.0466  0.4263  0.6981  1
  Pd  Pd2  2  0.2280  0.1770  0.2206  1
  Pd  Pd3  2  0.2487  0.5973  0.9466  1
  Pd  Pd4  2  0.2538  0.0026  0.6348  1
  Pd  Pd5  2  0.4563  0.3816  0.3974  1
  Pd  Pd6  2  0.4846  0.7995  0.1467  1
  Pd  Pd7  1  0.0000  0.0000  0.0000  1
]