data_[Ac4H20Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [8.5855]
_cell_length_b [4.3522]
_cell_length_c [8.5506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AcH5Pd]
_chemical_formula_sum '[Ac4 H20 Pd4]'
_cell_volume [301.7722]
_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
[
  Ac  Ac0  4  0.2500  0.2500  0.5000  1
  H  H1  8  0.0477  0.2482  0.9583  1
  H  H2  8  0.2075  0.2484  0.7975  1
  Pd  Pd3  4  0.0000  0.2585  0.7500  1
  H  H4  4  0.0000  0.2840  0.2500  1
]