data_SbSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15
_cell_length_b   10.7
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbSI
_chemical_formula_sum   'Sb4 S4 I4'
_cell_volume   405.78
_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  Sb0  1  0.53  0.04  0.16  1.0
  Sb  Sb1  1  0.62  0.66  0.24  1.0
  Sb  Sb2  1  0.2  0.4  0.24  1.0
  Sb  Sb3  1  0.96  0.31  0.16  1.0
  S  S4  1  0.2  0.92  0.11  1.0
  S  S5  1  0.95  0.78  0.18  1.0
  S  S6  1  0.37  0.27  0.18  1.0
  S  S7  1  0.78  0.43  0.11  1.0
  I  I8  1  0.09  0.3  0.08  1.0
  I  I9  1  0.06  0.4  0.15  1.0
  I  I10  1  0.49  0.95  0.15  1.0
  I  I11  1  0.67  0.75  0.08  1.0

data_SbSI
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   9.15
_cell_length_c   10.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbSI
_chemical_formula_sum   'Sb4 S4 I4'
_cell_volume   405.78
_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  Sb0  1  0.16  0.53  0.04  1.0
  Sb  Sb1  1  0.16  0.96  0.31  1.0
  Sb  Sb2  1  0.24  0.2  0.4  1.0
  Sb  Sb3  1  0.24  0.62  0.66  1.0
  S  S4  1  0.11  0.2  0.92  1.0
  S  S5  1  0.11  0.78  0.43  1.0
  S  S6  1  0.18  0.37  0.27  1.0
  S  S7  1  0.18  0.95  0.78  1.0
  I  I8  1  0.08  0.09  0.3  1.0
  I  I9  1  0.08  0.67  0.75  1.0
  I  I10  1  0.15  0.06  0.4  1.0
  I  I11  1  0.15  0.49  0.95  1.0

Sb Sb Sb Sb S S S S I I I I