data_RbSm2I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78
_cell_length_b   8.79
_cell_length_c   14.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSm2I5
_chemical_formula_sum   'Rb4 Sm8 I20'
_cell_volume   1214.91
_cell_formula_units_Z   4
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  0.82  0.38  0.63  1.0
  Rb  Rb1  1  0.77  0.41  0.5  1.0
  Rb  Rb2  1  0.86  0.98  0.44  1.0
  Rb  Rb3  1  0.73  0.81  0.69  1.0
  Sm  Sm4  1  1.0  0.32  0.57  1.0
  Sm  Sm5  1  0.6  0.47  0.56  1.0
  Sm  Sm6  1  0.69  0.93  0.49  1.0
  Sm  Sm7  1  0.9  0.86  0.64  1.0
  Sm  Sm8  1  0.09  0.02  0.12  1.0
  Sm  Sm9  1  0.5  0.77  0.01  1.0
  Sm  Sm10  1  0.41  0.63  0.08  1.0
  Sm  Sm11  1  0.19  0.16  0.05  1.0
  I  I12  1  0.23  0.34  0.13  1.0
  I  I13  1  0.37  0.45  0.01  1.0
  I  I14  1  0.46  0.94  0.94  1.0
  I  I15  1  0.13  0.84  0.19  1.0
  I  I16  1  1.0  0.35  0.53  1.0
  I  I17  1  0.6  0.44  0.6  1.0
  I  I18  1  0.69  0.75  0.53  1.0
  I  I19  1  0.9  0.04  0.6  1.0
  I  I20  1  0.13  0.0  0.99  1.0
  I  I21  1  0.46  0.78  0.14  1.0
  I  I22  1  0.55  0.61  0.07  1.0
  I  I23  1  0.04  0.18  0.06  1.0
  I  I24  1  0.04  0.75  0.09  1.0
  I  I25  1  0.55  0.04  0.04  1.0
  I  I26  1  0.64  0.35  0.97  1.0
  I  I27  1  0.95  0.43  0.16  1.0
  I  I28  1  0.37  0.97  0.61  1.0
  I  I29  1  0.22  0.82  0.52  1.0
  I  I30  1  0.32  0.36  0.45  1.0
  I  I31  1  0.28  0.42  0.68  1.0

data_RbSm2I5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.79
_cell_length_b   9.78
_cell_length_c   14.13
_cell_angle_alpha   90.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbSm2I5
_chemical_formula_sum   'Rb4 Sm8 I20'
_cell_volume   1214.91
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.07  0.87  1.0
  Rb  Rb1  2  0.48  0.03  0.06  1.0
  Sm  Sm2  2  0.03  0.89  0.93  1.0
  Sm  Sm3  2  0.13  0.3  0.55  1.0
  Sm  Sm4  2  0.27  0.39  0.49  1.0
  Sm  Sm5  2  0.43  0.2  0.01  1.0
  I  I6  2  0.05  0.66  0.37  1.0
  I  I7  2  0.08  0.57  0.05  1.0
  I  I8  2  0.11  0.34  0.43  1.0
  I  I9  2  0.15  0.75  0.47  1.0
  I  I10  2  0.15  0.11  0.03  1.0
  I  I11  2  0.28  0.24  0.49  1.0
  I  I12  2  0.44  0.43  0.56  1.0
  I  I13  2  0.46  0.2  0.97  1.0
  I  I14  2  0.46  0.85  0.41  1.0
  I  I15  2  0.47  0.52  0.89  1.0

Rb Rb Rb Rb Sm Sm Sm Sm Sm Sm Sm Sm I I I I I I I I I I I I I I I I I I I I