data_SbSCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   76.53
_cell_angle_beta   76.53
_cell_angle_gamma   76.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbSCl9
_chemical_formula_sum   'Sb2 S2 Cl18'
_cell_volume   696.67
_cell_formula_units_Z   2
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  0.53  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.0  0.0  0.47  1.0
  S  S3  1  0.0  0.0  0.58  1.0
  Cl  Cl4  1  0.0  0.48  0.97  1.0
  Cl  Cl5  1  0.0  0.52  0.09  1.0
  Cl  Cl6  1  0.92  0.74  0.09  1.0
  Cl  Cl7  1  0.92  0.26  0.97  1.0
  Cl  Cl8  1  0.08  0.26  0.97  1.0
  Cl  Cl9  1  0.08  0.74  0.09  1.0
  Cl  Cl10  1  0.29  0.01  0.93  1.0
  Cl  Cl11  1  0.29  0.99  0.13  1.0
  Cl  Cl12  1  0.71  0.99  0.13  1.0
  Cl  Cl13  1  0.71  0.01  0.93  1.0
  Cl  Cl14  1  0.0  0.03  0.13  1.0
  Cl  Cl15  1  0.0  0.97  0.93  1.0
  Cl  Cl16  1  0.43  0.1  0.73  1.0
  Cl  Cl17  1  0.43  0.9  0.33  1.0
  Cl  Cl18  1  0.57  0.9  0.33  1.0
  Cl  Cl19  1  0.57  0.1  0.73  1.0
  Cl  Cl20  1  0.0  0.81  0.73  1.0
  Cl  Cl21  1  0.0  0.19  0.33  1.0

data_SbSCl9
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   76.53
_cell_angle_beta   76.53
_cell_angle_gamma   76.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbSCl9
_chemical_formula_sum   'Sb2 S2 Cl18'
_cell_volume   696.67
_cell_formula_units_Z   2
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
  Sb  Sb1  1  0.0  0.0  0.47  1.0
  S  S2  1  0.0  0.0  0.42  1.0
  S  S3  1  0.0  0.0  0.53  1.0
  Cl  Cl4  1  0.01  0.29  0.87  1.0
  Cl  Cl5  1  0.01  0.71  0.87  1.0
  Cl  Cl6  1  0.03  -0.0  0.07  1.0
  Cl  Cl7  1  0.1  0.43  0.67  1.0
  Cl  Cl8  1  0.1  0.57  0.67  1.0
  Cl  Cl9  1  0.19  -0.0  0.27  1.0
  Cl  Cl10  1  0.26  0.08  0.91  1.0
  Cl  Cl11  1  0.26  0.92  0.91  1.0
  Cl  Cl12  1  0.48  -0.0  0.91  1.0
  Cl  Cl13  1  0.52  0.0  0.03  1.0
  Cl  Cl14  1  0.74  0.08  0.03  1.0
  Cl  Cl15  1  0.74  0.92  0.03  1.0
  Cl  Cl16  1  0.81  0.0  0.67  1.0
  Cl  Cl17  1  0.9  0.43  0.27  1.0
  Cl  Cl18  1  0.9  0.57  0.27  1.0
  Cl  Cl19  1  0.97  0.0  0.87  1.0
  Cl  Cl20  1  0.99  0.29  0.07  1.0
  Cl  Cl21  1  0.99  0.71  0.07  1.0

Sb Sb S S Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Sb Sb S S Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 2 o o o 0 3 o o o 0 20 o - o 0 21 o o o 1 15 o - - 1 14 o o o 2 21 o o o 3 20 o - o 4 5 o o + 6 9 + o o 7 8 + o o 10 11 o - + 10 16 o o o 12 18 o o o 12 13 o + - 16 19 o o o 17 18 o o o 