data_[Li3Ac3H24Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.7481]
_cell_length_b [4.7481]
_cell_length_c [19.5064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiAc(H4Pd)2]
_chemical_formula_sum '[Li3 Ac3 H24 Pd6]'
_cell_volume [380.8367]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ac  Ac1  3  -0.0000  0.0000  0.5000  1
  H  H2  18  0.0024  0.3732  0.0491  1
  H  H3  6  0.0000  0.0000  0.1509  1
  Pd  Pd4  6  0.0000  0.0000  0.3325  1
]