data_[Li2H6Pd12]
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 [P2_1/m]
_cell_length_a [9.1525]
_cell_length_b [2.8130]
_cell_length_c [9.2287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(HPd2)3]
_chemical_formula_sum '[Li2 H6 Pd12]'
_cell_volume [228.7521]
_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  0.3976  0.2500  0.1006  1.0
  Pd  Pd1  2  0.0355  0.2500  0.7583  1.0
  H  H2  2  0.0761  0.2500  0.1680  1.0
  Pd  Pd3  2  0.1424  0.7500  0.5371  1.0
  Pd  Pd4  2  0.1446  0.7500  0.0392  1.0
  Pd  Pd5  2  0.2625  0.2500  0.3179  1.0
  Pd  Pd6  2  0.3126  0.7500  0.8338  1.0
  H  H7  2  0.3130  0.7500  0.4685  1.0
  H  H8  2  0.4275  0.2500  0.8105  1.0
  Pd  Pd9  2  0.4484  0.2500  0.6189  1.0
]