data_[Pm12Al6Ga36Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3889]
_cell_length_b [6.3889]
_cell_length_c [35.5677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2AlGa6Ir]
_chemical_formula_sum '[Pm12 Al6 Ga36 Ir6]'
_cell_volume [1257.2983]
_cell_formula_units_Z [6]
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
[
  Pm  Pm0  6  0.0000  0.0000  0.1345  1
  Pm  Pm1  6  0.0000  0.0000  0.3120  1
  Al  Al2  3  -0.0000  -0.0000  0.5000  1
  Al  Al3  3  0.0000  0.0000  0.0000  1
  Ga  Ga4  18  0.0304  0.5152  0.7211  1
  Ga  Ga5  18  0.0755  0.5378  0.8803  1
  Ir  Ir6  6  0.0000  0.0000  0.4301  1
]