data_[Cs2Pr6C2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.6686]
_cell_length_b [9.7389]
_cell_length_c [10.3077]
_cell_angle_alpha [71.0037]
_cell_angle_beta [84.6065]
_cell_angle_gamma [89.4199]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPr3CI6]
_chemical_formula_sum '[Cs2 Pr6 C2 I12]'
_cell_volume [913.4385]
_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
[
  Cs  Cs0  2  0.4664  0.3690  0.3285  1
  Pr  Pr1  2  0.0252  0.1054  0.6865  1
  Pr  Pr2  2  0.0820  0.2512  0.9945  1
  Pr  Pr3  2  0.2529  0.9174  0.9976  1
  C  C4  2  0.0058  0.0240  0.9276  1
  I  I5  2  0.0787  0.2044  0.3244  1
  I  I6  2  0.1544  0.4106  0.6685  1
  I  I7  2  0.2083  0.5916  0.9993  1
  I  I8  2  0.2837  0.7757  0.3241  1
  I  I9  2  0.3364  0.9961  0.6692  1
  I  I10  2  0.4066  0.2035  0.0041  1
]