data_[Pr16Sb4Ir6]
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 [C2/m]
_cell_length_a [16.3152]
_cell_length_b [8.3177]
_cell_length_c [7.1494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Sb2Ir3]
_chemical_formula_sum '[Pr16 Sb4 Ir6]'
_cell_volume [931.1764]
_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  0.1066  0.2390  0.3978  1
  Pr  Pr1  4  0.0949  0.5000  0.8915  1
  Pr  Pr2  4  0.1005  0.0000  0.9043  1
  Sb  Sb3  4  0.2423  0.5000  0.6632  1
  Ir  Ir4  4  0.0000  0.2520  0.0000  1
  Ir  Ir5  2  0.0000  0.0000  0.5000  1
]