data_[Ac6Si9Ir3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3491]
_cell_length_b [8.3491]
_cell_length_c [18.4615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Si3IrPd12]
_chemical_formula_sum '[Ac6 Si9 Ir3 Pd36]'
_cell_volume [1114.4830]
_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  6  0.0000  0.0000  0.3859  1
  Si  Si1  9  0.0000  0.5000  0.5000  1
  Pd  Pd2  18  0.0012  0.5006  0.3753  1
  Pd  Pd3  18  0.0369  0.5184  0.8651  1
  Ir  Ir4  3  0.0000  0.0000  0.0000  1
]