data_Mg(PCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   17.12
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(PCl2)2
_chemical_formula_sum   'Mg2 P4 Cl8'
_cell_volume   379.58
_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
  Mg  Mg8  1  0.0  0.0  0.0  1.0
  Mg  Mg9  1  0.38  0.56  0.0  1.0
  P  P10  1  0.48  0.97  0.64  1.0
  P  P11  1  0.28  0.15  0.64  1.0
  P  P12  1  0.9  0.41  0.64  1.0
  P  P13  1  0.85  0.71  0.64  1.0
  Cl  Cl0  1  0.04  0.06  0.0  1.0
  Cl  Cl1  1  0.72  0.06  0.0  1.0
  Cl  Cl2  1  0.34  0.5  0.0  1.0
  Cl  Cl3  1  0.42  0.62  0.0  1.0
  Cl  Cl4  1  0.38  0.99  0.64  1.0
  Cl  Cl5  1  0.37  0.13  0.64  1.0
  Cl  Cl6  1  1.0  0.55  0.64  1.0
  Cl  Cl7  1  0.76  0.57  0.64  1.0

data_Mg(PCl2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   6.76
_cell_length_c   17.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(PCl2)2
_chemical_formula_sum   'Mg2 P4 Cl8'
_cell_volume   379.58
_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
  Mg  Mg0  1  -0.0  0.38  0.56  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.64  0.28  0.15  1.0
  P  P3  1  0.64  0.48  0.97  1.0
  P  P4  1  0.64  0.85  0.71  1.0
  P  P5  1  0.64  0.9  0.41  1.0
  Cl  Cl6  1  -0.0  0.34  0.5  1.0
  Cl  Cl7  1  -0.0  0.42  0.62  1.0
  Cl  Cl8  1  -0.0  0.72  0.06  1.0
  Cl  Cl9  1  -0.0  0.04  0.06  1.0
  Cl  Cl10  1  0.64  0.37  0.13  1.0
  Cl  Cl11  1  0.64  0.38  0.99  1.0
  Cl  Cl12  1  0.64  0.76  0.57  1.0
  Cl  Cl13  1  0.64  1.0  0.55  1.0

Mg Mg P P P P Cl Cl Cl Cl Cl Cl Cl Cl
Mg Mg P P P P Cl Cl Cl Cl Cl Cl Cl Cl 0 6 o o o 0 7 - o o 1 8 o o o 1 9 o o o 2 10 o o o 2 7 o + + 3 11 o o o 4 13 o o o 4 12 o o o 5 13 o o o 5 12 o o o 6 7 - o o 12 13 o o o 