data_[Li4Ac16Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.3885]
_cell_length_b [16.2381]
_cell_length_c [7.6724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li(Ac2Pd)2]
_chemical_formula_sum '[Li4 Ac16 Pd8]'
_cell_volume [914.6078]
_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  0.0734  0.1164  0.3714  1
  Ac  Ac1  4  0.0118  0.2791  0.0999  1
  Ac  Ac2  4  0.1732  0.2813  0.7398  1
  Ac  Ac3  4  0.4101  0.0164  0.9238  1
  Ac  Ac4  4  0.4203  0.4310  0.2639  1
  Pd  Pd5  4  0.2293  0.4073  0.4656  1
  Pd  Pd6  4  0.3054  0.1520  0.1311  1
]