data_[Li4H8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.3158]
_cell_length_b [6.3653]
_cell_length_c [7.3188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li(HPd2)2]
_chemical_formula_sum '[Li4 H8 Pd16]'
_cell_volume [329.7918]
_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
[
  Li  Li0  2  0.0000  0.0101  0.0000  1.0
  Li  Li1  2  0.0000  0.1656  0.5000  1.0
  Pd  Pd2  4  0.0352  0.8243  0.3392  1.0
  Pd  Pd3  4  0.1137  0.3926  0.2437  1.0
  Pd  Pd4  4  0.1809  0.5124  0.6616  1.0
  H  H5  4  0.2031  0.7624  0.2595  1.0
  H  H6  4  0.2264  0.8831  0.8599  1.0
  Pd  Pd7  4  0.2466  0.6686  0.0538  1.0
]