data_[Pm36Ni18Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3793]
_cell_length_b [12.3793]
_cell_length_c [12.0198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12Ni6Ir]
_chemical_formula_sum '[Pm36 Ni18 Ir3]'
_cell_volume [1595.2043]
_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
[
  Pm  Pm0  18  0.0210  0.2071  0.3897  1
  Pm  Pm1  18  0.0285  0.2033  0.8791  1
  Ni  Ni2  18  0.0380  0.2598  0.6477  1
  Ir  Ir3  3  0.0000  0.0000  0.0000  1
]