data_[Ac16Ir6Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [8.8448]
_cell_length_b [8.8448]
_cell_length_c [14.0961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Ac8Ir3Pd2]
_chemical_formula_sum '[Ac16 Ir6 Pd4]'
_cell_volume [955.0011]
_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  6  0.0214  0.5107  0.3798  1
  Ac  Ac1  6  0.1650  0.3300  0.6508  1
  Ac  Ac2  2  0.0000  0.0000  0.3708  1
  Ac  Ac3  2  0.3333  0.6667  0.1491  1
  Ir  Ir4  6  0.1674  0.3348  0.2614  1
  Pd  Pd5  2  0.3333  0.6667  0.5250  1
  Pd  Pd6  2  0.3333  0.6667  0.7726  1
]