data_[Ac36Ir3Pd18]
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 [R-3]
_cell_length_a [13.4565]
_cell_length_b [13.4565]
_cell_length_c [13.2125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12IrPd6]
_chemical_formula_sum '[Ac36 Ir3 Pd18]'
_cell_volume [2071.9590]
_cell_formula_units_Z [3]
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  18  0.0198  0.8175  0.3889  1
  Ac  Ac1  18  0.0294  0.8334  0.8781  1
  Pd  Pd2  18  0.0372  0.7717  0.6474  1
  Ir  Ir3  3  0.0000  0.0000  0.0000  1
]