data_[Ge4H2Pd12]
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 [9.3195]
_cell_length_b [3.6402]
_cell_length_c [7.5842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2HPd6]
_chemical_formula_sum '[Ge4 H2 Pd12]'
_cell_volume [257.2655]
_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  4  0.2453  0.0000  0.2447  1.0
  Pd  Pd1  4  0.0554  0.0000  0.7398  1.0
  Pd  Pd2  4  0.1378  0.5000  0.0558  1.0
  Pd  Pd3  4  0.1408  0.5000  0.4410  1.0
  H  H4  2  0.0000  0.0000  0.5000  1.0
]