data_[Sn2Pd13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8813]
_cell_length_b [6.3312]
_cell_length_c [8.4533]
_cell_angle_alpha [102.4256]
_cell_angle_beta [106.3262]
_cell_angle_gamma [97.7740]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn2Pd13]
_chemical_formula_sum '[Sn2 Pd13]'
_cell_volume [239.4421]
_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
[
  Sn  Sn0  2  0.1977  0.4009  0.2654  1.0
  Pd  Pd1  2  0.0002  0.0001  0.6679  1.0
  Pd  Pd2  2  0.2015  0.3961  0.5986  1.0
  Pd  Pd3  2  0.2022  0.3993  0.9336  1.0
  Pd  Pd4  2  0.3989  0.7995  0.1998  1.0
  Pd  Pd5  2  0.3994  0.8010  0.8669  1.0
  Pd  Pd6  2  0.3995  0.8028  0.5350  1.0
  Pd  Pd7  1  0.0000  0.0000  0.0000  1.0
]