data_[Li6H8Pd2]
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 [Pmmn]
_cell_length_a [3.7977]
_cell_length_b [6.8497]
_cell_length_c [5.4616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Li3H4Pd]
_chemical_formula_sum '[Li6 H8 Pd2]'
_cell_volume [142.0738]
_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  4  0.0000  0.2186  0.3309  1
  Li  Li1  2  0.0000  0.5000  0.8885  1
  H  H2  4  0.0000  0.2464  0.7040  1
  H  H3  2  0.0000  0.0000  0.1165  1
  Pd  Pd4  2  0.0000  0.0000  0.7659  1
  H  H5  2  0.0000  0.5000  0.2579  1
]