data_[Ac2Cd2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3065]
_cell_length_b [5.9828]
_cell_length_c [6.7458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcCdPd3]
_chemical_formula_sum '[Ac2 Cd2 Pd6]'
_cell_volume [213.9604]
_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
[
  Ac  Ac0  2  0.1741  0.7500  0.1588  1
  Cd  Cd1  2  0.1233  0.2500  0.3965  1
  Pd  Pd2  4  0.3503  0.5183  0.6837  1
  Pd  Pd3  2  0.3411  0.2500  0.0349  1
]