data_AlPCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.85
_cell_length_b   7.53
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPCl4
_chemical_formula_sum   'Al4 P4 Cl16'
_cell_volume   887.17
_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
  Al  Al0  1  0.46  0.88  0.08  1.0
  Al  Al1  1  0.32  0.65  0.05  1.0
  Al  Al2  1  0.4  0.65  0.86  1.0
  Al  Al3  1  0.53  0.88  0.89  1.0
  P  P20  1  0.38  0.65  0.41  1.0
  P  P21  1  0.54  0.88  0.38  1.0
  P  P22  1  0.47  0.88  0.53  1.0
  P  P23  1  0.31  0.65  0.56  1.0
  Cl  Cl4  1  0.32  0.88  0.53  1.0
  Cl  Cl5  1  0.46  0.65  0.5  1.0
  Cl  Cl6  1  0.53  0.65  0.41  1.0
  Cl  Cl7  1  0.4  0.88  0.44  1.0
  Cl  Cl8  1  0.78  0.09  0.14  1.0
  Cl  Cl9  1  1.0  0.44  0.11  1.0
  Cl  Cl10  1  0.07  0.85  0.79  1.0
  Cl  Cl11  1  0.86  0.68  0.82  1.0
  Cl  Cl12  1  0.07  0.44  0.79  1.0
  Cl  Cl13  1  0.86  0.09  0.82  1.0
  Cl  Cl14  1  0.78  0.68  0.14  1.0
  Cl  Cl15  1  1.0  0.85  0.11  1.0
  Cl  Cl16  1  0.79  0.88  0.77  1.0
  Cl  Cl17  1  0.14  0.65  0.74  1.0
  Cl  Cl18  1  0.07  0.65  0.17  1.0
  Cl  Cl19  1  0.71  0.88  0.2  1.0

data_AlPCl4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.53
_cell_length_b   9.94
_cell_length_c   11.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlPCl4
_chemical_formula_sum   'Al4 P4 Cl16'
_cell_volume   887.17
_cell_formula_units_Z   4
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
  Al  Al0  2  0.38  0.39  0.97  1.0
  Al  Al1  2  0.38  0.58  0.9  1.0
  P  P2  2  0.38  0.09  0.88  1.0
  P  P3  2  0.38  0.94  0.96  1.0
  Cl  Cl4  2  0.18  0.32  0.64  1.0
  Cl  Cl5  2  0.18  0.64  0.57  1.0
  Cl  Cl6  2  0.38  0.03  0.03  1.0
  Cl  Cl7  2  0.38  0.27  0.71  1.0
  Cl  Cl8  2  0.38  0.7  0.64  1.0
  Cl  Cl9  2  0.38  0.94  0.1  1.0
  Cl  Cl10  2  0.41  0.36  0.43  1.0
  Cl  Cl11  2  0.41  0.68  0.36  1.0

Al Al Al Al P P P P Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl