data_[Zn4H12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [9.8315]
_cell_length_b [5.9574]
_cell_length_c [8.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnH3Pd5]
_chemical_formula_sum '[Zn4 H12 Pd20]'
_cell_volume [406.3097]
_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
[
  Zn  Zn0  4  0.0959  0.0000  0.3241  1.0
  Pd  Pd1  8  0.1637  0.2371  0.6600  1.0
  Pd  Pd2  4  0.0000  0.2745  0.0000  1.0
  Pd  Pd3  4  0.0921  0.5000  0.3447  1.0
  H  H4  4  0.1189  0.5000  0.7356  1.0
  H  H5  4  0.1868  0.5000  0.1668  1.0
  Pd  Pd6  4  0.2333  0.0000  0.9943  1.0
  H  H7  2  0.0000  0.0000  0.0000  1.0
  H  H8  2  0.0000  0.0000  0.5000  1.0
]