data_[Li2H8Pd12]
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 [9.6372]
_cell_length_b [5.6026]
_cell_length_c [5.6687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li(H2Pd3)2]
_chemical_formula_sum '[Li2 H8 Pd12]'
_cell_volume [256.0054]
_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
[
  Li  Li0  2  0.0000  0.9977  0.5000  1
  H  H1  4  0.1089  0.4886  0.3691  1
  H  H2  4  0.2306  0.0210  0.1961  1
  Pd  Pd3  4  0.2471  0.7415  0.5026  1
  Pd  Pd4  4  0.2479  0.2543  0.9904  1
  Pd  Pd5  2  0.0000  0.4998  0.0000  1
  Pd  Pd6  2  0.0000  0.9990  0.0000  1
]