data_SbCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.45
_cell_angle_alpha   91.5
_cell_angle_beta   91.5
_cell_angle_gamma   29.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbCl5
_chemical_formula_sum   'Sb1 Cl5'
_cell_volume   224.2
_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  Sb5  1  0.83  0.0  0.46  1.0
  Cl  Cl0  1  0.52  0.0  0.47  1.0
  Cl  Cl1  1  0.99  0.0  0.42  1.0
  Cl  Cl2  1  0.81  0.0  0.2  1.0
  Cl  Cl3  1  0.47  0.0  0.09  1.0
  Cl  Cl4  1  0.63  0.0  0.47  1.0

data_SbCl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   7.45
_cell_length_c   7.8
_cell_angle_alpha   91.5
_cell_angle_beta   104.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbCl5
_chemical_formula_sum   'Sb1 Cl5'
_cell_volume   224.2
_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  0.46  0.83  1.0
  Cl  Cl1  1  0.0  0.09  0.47  1.0
  Cl  Cl2  1  0.0  0.2  0.81  1.0
  Cl  Cl3  1  0.0  0.42  0.99  1.0
  Cl  Cl4  1  0.0  0.47  0.52  1.0
  Cl  Cl5  1  0.0  0.47  0.63  1.0

Sb Cl Cl Cl Cl Cl
Sb Cl Cl Cl Cl Cl 0 5 o o o 0 2 o o o 0 3 o o o 1 5 o o o 1 4 o o o 2 3 o o o 3 4 o o o 4 5 o o o 