data_[Ge2Pd30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5213]
_cell_length_b [2.8122]
_cell_length_c [45.0324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GePd15]
_chemical_formula_sum '[Ge2 Pd30]'
_cell_volume [699.2137]
_cell_formula_units_Z [2]
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
[
  Ge  Ge0  2  0.1249  0.2500  0.1751  1
  Pd  Pd1  2  0.1239  0.2500  0.6983  1
  Pd  Pd2  2  0.1250  0.2500  0.6100  1
  Pd  Pd3  2  0.1250  0.2500  0.4340  1
  Pd  Pd4  2  0.1250  0.2500  0.3459  1
  Pd  Pd5  2  0.1250  0.2500  0.2571  1
  Pd  Pd6  2  0.1250  0.2500  0.5220  1
  Pd  Pd7  2  0.1267  0.2500  0.7879  1
  Pd  Pd8  2  0.3739  0.7500  0.3017  1
  Pd  Pd9  2  0.3749  0.7500  0.8327  1
  Pd  Pd10  2  0.3750  0.7500  0.3900  1
  Pd  Pd11  2  0.3750  0.7500  0.5661  1
  Pd  Pd12  2  0.3750  0.7500  0.6541  1
  Pd  Pd13  2  0.3750  0.7500  0.7422  1
  Pd  Pd14  2  0.3750  0.7500  0.4780  1
  Pd  Pd15  2  0.3766  0.7500  0.2121  1
]