data_[Li6H2Pd8]
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 [Imm2]
_cell_length_a [5.3705]
_cell_length_b [8.0242]
_cell_length_c [5.2699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li3HPd4]
_chemical_formula_sum '[Li6 H2 Pd8]'
_cell_volume [227.1004]
_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  0.2917  0.5962  1.0
  Li  Li1  2  0.0000  0.0000  0.8469  1.0
  Pd  Pd2  4  0.0000  0.2581  0.1290  1.0
  Pd  Pd3  4  0.2418  0.0000  0.3726  1.0
  H  H4  2  0.0000  0.5000  0.1086  1.0
]