data_[Ge2H4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1570]
_cell_length_b [4.5187]
_cell_length_c [5.2199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge(HPd4)2]
_chemical_formula_sum '[Ge2 H4 Pd16]'
_cell_volume [290.3808]
_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  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0509  0.0000  0.7915  1.0
  Pd  Pd2  4  0.1025  0.5000  0.5043  1.0
  H  H3  4  0.1621  0.0000  0.6630  1.0
  Pd  Pd4  4  0.1771  0.0000  0.3414  1.0
  Pd  Pd5  4  0.2028  0.5000  0.0650  1.0
]