data_[Pr24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [12.1592]
_cell_length_b [12.1592]
_cell_length_c [6.3647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pr3Ir]
_chemical_formula_sum '[Pr24 Ir8]'
_cell_volume [940.9958]
_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  8  0.0000  0.3587  0.5000  1.0
  Pr  Pr1  8  0.0951  0.0951  0.7555  1.0
  Pr  Pr2  8  0.2021  0.7979  0.8077  1.0
  Ir  Ir3  8  0.0000  0.2986  0.0000  1.0
]