data_SbI3Cl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.02
_cell_length_c   7.69
_cell_angle_alpha   82.99
_cell_angle_beta   88.39
_cell_angle_gamma   82.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbI3Cl8
_chemical_formula_sum   'Sb1 I3 Cl8'
_cell_volume   371.79
_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
  Sb  Sb11  1  0.0  0.0  0.0  1.0
  I  I8  1  0.89  0.19  0.16  1.0
  I  I9  1  0.3  0.68  0.47  1.0
  I  I10  1  0.61  0.46  0.82  1.0
  Cl  Cl0  1  0.38  0.86  0.11  1.0
  Cl  Cl1  1  0.81  0.02  0.52  1.0
  Cl  Cl2  1  0.16  0.24  0.06  1.0
  Cl  Cl3  1  0.03  0.63  0.57  1.0
  Cl  Cl4  1  0.0  0.41  0.32  1.0
  Cl  Cl5  1  0.18  0.47  0.31  1.0
  Cl  Cl6  1  0.79  0.84  0.2  1.0
  Cl  Cl7  1  0.39  0.03  0.43  1.0

data_SbI3Cl8
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.0
_cell_length_b   7.02
_cell_length_c   7.69
_cell_angle_alpha   82.99
_cell_angle_beta   88.39
_cell_angle_gamma   82.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbI3Cl8
_chemical_formula_sum   'Sb1 I3 Cl8'
_cell_volume   371.79
_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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  I  I1  1  0.3  0.68  0.47  1.0
  I  I2  1  0.61  0.46  0.82  1.0
  I  I3  1  0.89  0.19  0.16  1.0
  Cl  Cl4  1  0.0  0.41  0.32  1.0
  Cl  Cl5  1  0.03  0.63  0.57  1.0
  Cl  Cl6  1  0.16  0.24  0.06  1.0
  Cl  Cl7  1  0.18  0.47  0.31  1.0
  Cl  Cl8  1  0.38  0.86  0.11  1.0
  Cl  Cl9  1  0.39  0.03  0.43  1.0
  Cl  Cl10  1  0.79  0.84  0.2  1.0
  Cl  Cl11  1  0.81  0.02  0.52  1.0

Sb I I I Cl Cl Cl Cl Cl Cl Cl Cl