data_SbCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95
_cell_length_b   6.36
_cell_length_c   31.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbCl5
_chemical_formula_sum   'Sb2 Cl10'
_cell_volume   1529.63
_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  0.25  0.32  0.7  1.0
  Sb  Sb1  1  0.77  0.72  0.59  1.0
  Cl  Cl2  1  0.65  0.36  0.58  1.0
  Cl  Cl3  1  0.21  0.19  0.63  1.0
  Cl  Cl4  1  0.8  0.85  0.66  1.0
  Cl  Cl5  1  0.37  0.68  0.71  1.0
  Cl  Cl6  1  0.53  0.24  0.7  1.0
  Cl  Cl7  1  0.96  0.39  0.7  1.0
  Cl  Cl8  1  0.16  0.08  0.76  1.0
  Cl  Cl9  1  0.85  0.96  0.53  1.0
  Cl  Cl10  1  0.05  0.65  0.59  1.0
  Cl  Cl11  1  0.49  0.8  0.59  1.0

Sb Sb Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 3 o o o 0 8 o o o 0 7 - o o 0 6 o o o 0 5 o o o 1 2 o o o 1 11 o o o 1 10 + o o 1 9 o o o 1 4 o o o 
data_SbCl5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.36
_cell_length_b   7.95
_cell_length_c   31.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.68
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SbCl5
_chemical_formula_sum   'Sb2 Cl10'
_cell_volume   1529.63
_cell_formula_units_Z   2
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  0.2  0.26  0.95  1.0
  Cl  Cl1  2  0.13  0.54  0.95  1.0
  Cl  Cl2  2  0.16  0.86  0.06  1.0
  Cl  Cl3  2  0.28  0.98  0.95  1.0
  Cl  Cl4  2  0.33  0.3  0.02  1.0
  Cl  Cl5  2  0.44  0.34  0.89  1.0

Sb Sb Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl