data_[Li4H8Pd10]
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 [12.3488]
_cell_length_b [2.9055]
_cell_length_c [7.3404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2H4Pd5]
_chemical_formula_sum '[Li4 H8 Pd10]'
_cell_volume [230.3739]
_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  0.0685  0.5000  0.4033  1.0
  H  H1  4  0.0376  0.0000  0.1935  1.0
  Pd  Pd2  4  0.1384  0.0000  0.8439  1.0
  H  H3  4  0.1387  0.5000  0.6992  1.0
  Pd  Pd4  4  0.2099  0.0000  0.2939  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]