data_[Pr8U2Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  U  1.3800  1.7500  0.9913
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [8.7435]
_cell_length_b [8.7435]
_cell_length_c [6.1074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Pr4UIr4]
_chemical_formula_sum '[Pr8 U2 Ir8]'
_cell_volume [466.8987]
_cell_formula_units_Z [2]
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  0.0770  0.3045  0.1137  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Ir  Ir2  8  0.1203  0.2507  0.6169  1
]