data_[Li12H12Pd4]
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 [5.8834]
_cell_length_b [8.8296]
_cell_length_c [5.3419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3H3Pd]
_chemical_formula_sum '[Li12 H12 Pd4]'
_cell_volume [276.5238]
_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  0.0000  0.1759  0.5000  1.0
  Li  Li1  4  0.0000  0.2596  0.0000  1.0
  Li  Li2  4  0.1274  0.5000  0.3320  1.0
  H  H3  8  0.1734  0.3368  0.6957  1.0
  H  H4  4  0.1056  0.0000  0.8219  1.0
  Pd  Pd5  4  0.2064  0.0000  0.1650  1.0
]