data_SbI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   12.88
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   111.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbI3
_chemical_formula_sum   'Sb4 I12'
_cell_volume   725.95
_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
  Sb  Sb12  1  0.05  0.73  0.45  1.0
  Sb  Sb13  1  0.34  0.29  0.15  1.0
  Sb  Sb14  1  0.61  0.59  0.05  1.0
  Sb  Sb15  1  0.9  0.15  0.75  1.0
  I  I0  1  0.84  0.35  0.11  1.0
  I  I1  1  0.78  0.51  0.38  1.0
  I  I2  1  0.29  0.31  0.62  1.0
  I  I3  1  0.1  0.75  0.98  1.0
  I  I4  1  0.66  0.91  0.69  1.0
  I  I5  1  0.28  0.97  0.51  1.0
  I  I6  1  0.61  0.95  0.22  1.0
  I  I7  1  0.34  0.93  0.97  1.0
  I  I8  1  0.85  0.13  0.22  1.0
  I  I9  1  0.66  0.57  0.58  1.0
  I  I10  1  0.1  0.53  0.09  1.0
  I  I11  1  0.17  0.37  0.82  1.0

data_SbI3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.75
_cell_length_b   7.83
_cell_length_c   12.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.82
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SbI3
_chemical_formula_sum   'Sb4 I12'
_cell_volume   725.95
_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
  Sb  Sb0  2  0.05  0.87  0.85  1.0
  Sb  Sb1  2  0.35  0.57  0.29  1.0
  I  I2  2  0.01  0.37  0.91  1.0
  I  I3  2  0.12  0.37  0.69  1.0
  I  I4  2  0.12  0.14  0.51  1.0
  I  I5  2  0.28  0.3  0.07  1.0
  I  I6  2  0.41  0.81  0.53  1.0
  I  I7  2  0.48  0.19  0.13  1.0

Sb Sb Sb Sb I I I I I I I I I I I I