data_[Li4H20Pd12]
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/m]
_cell_length_a [8.1778]
_cell_length_b [5.1311]
_cell_length_c [8.0305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiH5Pd3]
_chemical_formula_sum '[Li4 H20 Pd12]'
_cell_volume [325.3030]
_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  4  0.1258  0.0000  0.3614  1.0
  H  H1  8  0.1115  0.2728  0.6725  1.0
  H  H2  4  0.0000  0.3352  0.0000  1.0
  Pd  Pd3  4  0.1111  0.5000  0.8600  1.0
  H  H4  4  0.1825  0.5000  0.4274  1.0
  H  H5  4  0.1993  0.0000  0.9591  1.0
  Pd  Pd6  4  0.2423  0.0000  0.7556  1.0
  Pd  Pd7  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd8  2  0.0000  0.5000  0.5000  1.0
]