data_[Pr4Si12Ir20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9438]
_cell_length_b [12.3915]
_cell_length_c [12.3965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrSi3Ir5]
_chemical_formula_sum '[Pr4 Si12 Ir20]'
_cell_volume [605.8103]
_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
[
  Pr  Pr0  4  0.0000  0.1584  0.2500  1
  Si  Si1  8  0.0000  0.3861  0.5408  1
  Si  Si2  4  0.0000  0.1211  0.7500  1
  Ir  Ir3  8  0.0000  0.2041  0.5731  1
  Ir  Ir4  8  0.0000  0.4461  0.1462  1
  Ir  Ir5  4  0.0000  0.0000  0.0000  1
]