data_[Pr12Rh4C2I6]
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
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1963]
_cell_length_b [12.4444]
_cell_length_c [8.3733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Rh2CI3]
_chemical_formula_sum '[Pr12 Rh4 C2 I6]'
_cell_volume [718.6169]
_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  0.2136  0.1556  0.1773  1.0
  Pr  Pr1  4  0.2465  0.5000  0.1785  1.0
  Rh  Rh2  4  0.0000  0.3331  0.0000  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1672  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]