data_[Ac3Pm36Ir18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.7774]
_cell_length_b [13.7774]
_cell_length_c [10.2097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac(Pm2Ir)6]
_chemical_formula_sum '[Ac3 Pm36 Ir18]'
_cell_volume [1678.3360]
_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  3  0.0000  0.0000  0.0000  1
  Pm  Pm1  18  0.0000  0.3760  0.5000  1
  Pm  Pm2  18  0.0871  0.1742  0.3586  1
  Ir  Ir3  18  0.0430  0.5215  0.2702  1
]