data_[Pr8Sb16Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.2920]
_cell_length_b [4.5890]
_cell_length_c [11.0926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr2Sb4Ir3]
_chemical_formula_sum '[Pr8 Sb16 Ir12]'
_cell_volume [829.3338]
_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  0.0066  0.7500  0.2515  1
  Pr  Pr1  4  0.2484  0.2500  0.9104  1
  Sb  Sb2  4  0.0682  0.2500  0.0521  1
  Sb  Sb3  4  0.1057  0.2500  0.4377  1
  Sb  Sb4  4  0.1505  0.7500  0.7245  1
  Sb  Sb5  4  0.2108  0.7500  0.1134  1
  Ir  Ir6  4  0.0565  0.7500  0.5340  1
  Ir  Ir7  4  0.0927  0.7500  0.9432  1
  Ir  Ir8  4  0.1811  0.2500  0.2233  1
]