data_[Pr24Rh9I12Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5346]
_cell_length_b [8.5346]
_cell_length_c [24.3187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Rh3I4Cl]
_chemical_formula_sum '[Pr24 Rh9 I12 Cl3]'
_cell_volume [1534.0383]
_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  0.0219  0.5110  0.2696  1
  Pr  Pr1  6  0.0000  0.0000  0.2719  1
  Rh  Rh2  9  0.0000  0.5000  0.0000  1
  I  I3  9  0.0000  0.5000  0.5000  1
  I  I4  3  -0.0000  -0.0000  0.5000  1
  Cl  Cl5  3  -0.0000  -0.0000  0.0000  1
]