data_SbPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45
_cell_length_b   9.45
_cell_length_c   9.45
_cell_angle_alpha   19.72
_cell_angle_beta   19.72
_cell_angle_gamma   19.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPCl2
_chemical_formula_sum   'Sb1 P1 Cl2'
_cell_volume   84.1
_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  Sb3  1  0.0  0.0  0.9  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.01  1.0
  Cl  Cl1  1  0.0  0.0  0.8  1.0

data_SbPCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   101.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbPCl2
_chemical_formula_sum   'Sb2 P2 Cl4'
_cell_volume   168.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.1  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.2  1.0
  Cl  Cl3  2  0.0  0.0  0.99  1.0

Sb P Cl Cl
Sb P Cl Cl 0 3 o o o 0 2 o o + 0 1 o o + 1 2 o o o 