data_[Li4H8Pd12]
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 [14.2390]
_cell_length_b [2.8369]
_cell_length_c [7.0267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiH2Pd3]
_chemical_formula_sum '[Li4 H8 Pd12]'
_cell_volume [274.1653]
_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  0.1243  0.5000  0.9624  1.0
  Pd  Pd1  4  0.0415  0.0000  0.2158  1.0
  H  H2  4  0.0708  0.0000  0.7266  1.0
  Pd  Pd3  4  0.0994  0.5000  0.5887  1.0
  Pd  Pd4  4  0.2190  0.5000  0.3161  1.0
  H  H5  4  0.2287  0.5000  0.7704  1.0
]