data_[Ge2H4Pd12]
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 [10.0607]
_cell_length_b [4.0338]
_cell_length_c [7.7436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge(HPd3)2]
_chemical_formula_sum '[Ge2 H4 Pd12]'
_cell_volume [242.0586]
_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  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0255  0.0000  0.8404  1.0
  Pd  Pd2  4  0.1500  0.5000  0.5043  1.0
  H  H3  4  0.1743  0.0000  0.1678  1.0
  Pd  Pd4  4  0.1866  0.5000  0.1573  1.0
]