data_[Pr24Ir9Rh3I9]
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
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4665]
_cell_length_b [8.4665]
_cell_length_c [24.5064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Ir3RhI3]
_chemical_formula_sum '[Pr24 Ir9 Rh3 I9]'
_cell_volume [1521.3183]
_cell_formula_units_Z [3]
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  18  0.0005  0.5002  0.7720  1
  Pr  Pr1  6  0.0000  0.0000  0.2283  1
  Ir  Ir2  9  0.0000  0.5000  0.5000  1
  Rh  Rh3  3  0.0000  0.0000  0.5000  1
  I  I4  9  0.0000  0.5000  0.0000  1
]