data_[Rh3I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5822]
_cell_length_b [18.9300]
_cell_length_c [18.9300]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RhI3]
_chemical_formula_sum '[Rh3 I9]'
_cell_volume [2353.0116]
_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
[
  Rh  Rh0  1  0.1877  0.4547  0.4871  1
  Rh  Rh1  1  0.5091  0.5364  0.5532  1
  Rh  Rh2  1  0.8233  0.4502  0.4968  1
  I  I3  1  0.0307  0.3420  0.5083  1
  I  I4  1  0.1733  0.7349  0.5762  1
  I  I5  1  0.2312  0.5631  0.6470  1
  I  I6  1  0.3219  0.5707  0.4563  1
  I  I7  1  0.4663  0.4626  0.2905  1
  I  I8  1  0.5083  0.3723  0.4410  1
  I  I9  1  0.7045  0.5052  0.6496  1
  I  I10  1  0.7937  0.6080  0.5382  1
  I  I11  1  0.9841  0.3996  0.3558  1
]