data_[Ac10Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5570]
_cell_length_b [31.7844]
_cell_length_c [4.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ac5Pd6]
_chemical_formula_sum '[Ac10 Pd12]'
_cell_volume [605.1769]
_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  4  0.0000  0.1992  0.5000  1
  Ac  Ac1  4  0.0000  0.3870  0.0000  1
  Ac  Ac2  2  0.0000  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.0975  0.5000  1
  Pd  Pd4  4  0.0000  0.2818  0.0000  1
  Pd  Pd5  4  0.0000  0.4577  0.5000  1
]