data_[Ge32Pd84]
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 [I4_1/a]
_cell_length_a [13.2776]
_cell_length_b [13.2776]
_cell_length_c [10.1657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [88]
_chemical_formula_structural [Ge8Pd21]
_chemical_formula_sum '[Ge32 Pd84]'
_cell_volume [1792.1533]
_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
[
  Ge  Ge0  16  0.0954  0.1238  0.6542  1
  Ge  Ge1  16  0.0970  0.2965  0.3019  1
  Pd  Pd2  16  0.0136  0.2802  0.7613  1
  Pd  Pd3  16  0.0539  0.0888  0.8970  1
  Pd  Pd4  16  0.0833  0.1068  0.2785  1
  Pd  Pd5  16  0.0907  0.2530  0.0515  1
  Pd  Pd6  16  0.2031  0.2208  0.4850  1
  Pd  Pd7  4  0.0000  0.0000  0.5000  1
]