data_[Pr8Si16Ir8]
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 [Immm]
_cell_length_a [4.3153]
_cell_length_b [8.7971]
_cell_length_c [16.0613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [PrSi2Ir]
_chemical_formula_sum '[Pr8 Si16 Ir8]'
_cell_volume [609.7182]
_cell_formula_units_Z [8]
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  0.2543  0.0000  1.0
  Pr  Pr1  4  0.0000  0.5000  0.2057  1.0
  Si  Si2  8  0.0000  0.1539  0.1997  1.0
  Si  Si3  4  0.0000  0.0000  0.4249  1.0
  Si  Si4  4  0.0000  0.5000  0.4220  1.0
  Ir  Ir5  8  0.0000  0.2541  0.3535  1.0
]