data_[Li2H4Pd5]
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 [P-1]
_cell_length_a [4.8948]
_cell_length_b [5.1085]
_cell_length_c [5.3816]
_cell_angle_alpha [80.6655]
_cell_angle_beta [89.2324]
_cell_angle_gamma [62.2765]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2H4Pd5]
_chemical_formula_sum '[Li2 H4 Pd5]'
_cell_volume [117.2436]
_cell_formula_units_Z [1]
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  0.4794  0.2650  0.9266  1
  Pd  Pd1  2  0.0112  0.2213  0.1116  1
  H  H2  2  0.0257  0.4237  0.8101  1
  Pd  Pd3  2  0.1732  0.6589  0.4165  1
  H  H4  2  0.4530  0.6751  0.6289  1
  Pd  Pd5  1  0.5000  0.0000  0.5000  1
]