data_RbPr6(CI6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.76
_cell_length_b   9.79
_cell_length_c   10.25
_cell_angle_alpha   70.94
_cell_angle_beta   72.06
_cell_angle_gamma   72.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbPr6(CI6)2
_chemical_formula_sum   'Rb1 Pr6 C2 I12'
_cell_volume   859.22
_cell_formula_units_Z   1
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
  Rb  Rb20  1  0.0  0.0  0.0  1.0
  Pr  Pr14  1  0.9  0.93  0.61  1.0
  Pr  Pr15  1  0.11  0.62  0.55  1.0
  Pr  Pr16  1  0.36  0.15  0.94  1.0
  Pr  Pr17  1  0.47  0.71  0.48  1.0
  Pr  Pr18  1  0.72  0.24  0.87  1.0
  Pr  Pr19  1  0.93  0.93  0.82  1.0
  C  C0  1  0.92  0.16  0.38  1.0
  C  C1  1  0.91  0.7  0.05  1.0
  I  I2  1  0.81  0.18  0.68  1.0
  I  I3  1  0.96  0.02  0.07  1.0
  I  I4  1  0.98  0.03  0.35  1.0
  I  I5  1  0.95  0.86  0.67  1.0
  I  I6  1  0.89  0.3  0.09  1.0
  I  I7  1  0.92  0.06  0.37  1.0
  I  I8  1  0.91  0.8  0.05  1.0
  I  I9  1  0.94  0.57  0.34  1.0
  I  I10  1  0.89  0.01  0.75  1.0
  I  I11  1  0.85  0.84  0.08  1.0
  I  I12  1  0.87  0.85  0.35  1.0
  I  I13  1  0.02  0.69  0.74  1.0

data_RbPr6(CI6)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.76
_cell_length_b   9.79
_cell_length_c   10.25
_cell_angle_alpha   70.94
_cell_angle_beta   72.06
_cell_angle_gamma   72.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbPr6(CI6)2
_chemical_formula_sum   'Rb1 Pr6 C2 I12'
_cell_volume   859.22
_cell_formula_units_Z   1
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
  Rb  Rb0  1  0.0  0.0  0.0  1.0
  Pr  Pr1  1  0.11  0.62  0.55  1.0
  Pr  Pr2  1  0.36  0.15  0.94  1.0
  Pr  Pr3  1  0.47  0.71  0.48  1.0
  Pr  Pr4  1  0.72  0.24  0.87  1.0
  Pr  Pr5  1  0.9  0.93  0.61  1.0
  Pr  Pr6  1  0.93  0.93  0.82  1.0
  C  C7  1  0.91  0.7  0.05  1.0
  C  C8  1  0.92  0.16  0.38  1.0
  I  I9  1  0.02  0.69  0.74  1.0
  I  I10  1  0.81  0.18  0.68  1.0
  I  I11  1  0.85  0.84  0.08  1.0
  I  I12  1  0.87  0.85  0.35  1.0
  I  I13  1  0.89  0.01  0.75  1.0
  I  I14  1  0.89  0.3  0.09  1.0
  I  I15  1  0.91  0.8  0.05  1.0
  I  I16  1  0.92  0.06  0.37  1.0
  I  I17  1  0.94  0.57  0.34  1.0
  I  I18  1  0.95  0.86  0.67  1.0
  I  I19  1  0.96  0.02  0.07  1.0
  I  I20  1  0.98  0.03  0.35  1.0

Rb Pr Pr Pr Pr Pr Pr C C I I I I I I I I I I I I
Rb Pr Pr Pr Pr Pr Pr C C I I I I I I I I I I I I 0 10 - o o 0 3 o o - 0 13 - o o 1 12 o o o 2 20 o o o 2 4 o o o 2 16 - o o 3 10 - o + 3 11 - o + 3 13 - o + 3 17 o o o 3 9 o o o 3 5 o o o 4 20 o o o 4 12 - o o 4 16 o o o 4 18 o o o 4 19 o o o 5 9 o o o 5 13 o o + 6 17 o + o 7 14 o o o 7 13 o o o 8 15 o o o 8 16 o o o 9 17 o o o 10 13 o o o 10 19 o - o 11 14 o o o 11 13 o o o 11 19 o - o 12 20 + o o 13 14 o o o 14 19 o - o 15 18 o o o 15 16 o o o 16 18 o o o 16 19 o o o 