data_[Pm12Si8Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7261]
_cell_length_b [14.9179]
_cell_length_c [5.6904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pm3Si2Ir3]
_chemical_formula_sum '[Pm12 Si8 Ir12]'
_cell_volume [655.8572]
_cell_formula_units_Z [4]
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  8  0.0264  0.6086  0.6339  1
  Pm  Pm1  4  0.1710  0.7500  0.0993  1
  Si  Si2  8  0.1260  0.1000  0.8737  1
  Ir  Ir3  8  0.1647  0.5393  0.1038  1
  Ir  Ir4  4  0.1785  0.2500  0.0763  1
]