data_[Sn8Ge4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0594]
_cell_length_b [15.4237]
_cell_length_c [13.4683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sn2GePd5]
_chemical_formula_sum '[Sn8 Ge4 Pd20]'
_cell_volume [635.5363]
_cell_formula_units_Z [4]
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  8  0.0000  0.1243  0.5833  1
  Ge  Ge1  4  0.0000  0.1376  0.2500  1
  Pd  Pd2  8  0.0000  0.0453  0.0987  1
  Pd  Pd3  8  0.0000  0.2269  0.0856  1
  Pd  Pd4  4  0.0000  0.2257  0.7500  1
]