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 [5.0672]
_cell_length_b [6.5449]
_cell_length_c [7.5162]
_cell_angle_alpha [69.0448]
_cell_angle_beta [79.2939]
_cell_angle_gamma [80.8100]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Si2Pd13]
_chemical_formula_sum '[Si2 Pd13]'
_cell_volume [227.5435]
_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  0.1711  0.7844  0.4347  1.0
  Pd  Pd1  2  0.0462  0.4260  0.6983  1.0
  Pd  Pd2  2  0.2275  0.1768  0.2208  1.0
  Pd  Pd3  2  0.2490  0.5972  0.9464  1.0
  Pd  Pd4  2  0.2538  0.0024  0.6350  1.0
  Pd  Pd5  2  0.4566  0.3818  0.3974  1.0
  Pd  Pd6  2  0.4843  0.7997  0.1467  1.0
  Pd  Pd7  1  0.0000  0.0000  0.0000  1.0
]