data_ZnPH6CCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   7.19
_cell_length_c   14.0
_cell_angle_alpha   89.48
_cell_angle_beta   85.96
_cell_angle_gamma   76.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPH6CCl3
_chemical_formula_sum   'Zn2 P2 H12 C2 Cl6'
_cell_volume   388.68
_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
  Zn  Zn0  1  0.11  0.15  0.45  1.0
  Zn  Zn1  1  0.1  0.86  0.5  1.0
  P  P10  1  0.91  0.99  0.64  1.0
  P  P11  1  0.37  0.94  0.55  1.0
  H  H12  1  0.53  0.47  0.4  1.0
  H  H13  1  0.46  0.04  0.69  1.0
  H  H14  1  0.86  0.97  0.38  1.0
  H  H15  1  1.0  0.32  0.69  1.0
  H  H16  1  0.76  0.99  0.15  1.0
  H  H17  1  0.69  0.15  0.35  1.0
  H  H18  1  0.07  0.53  0.58  1.0
  H  H19  1  0.12  0.3  1.0  1.0
  H  H20  1  0.51  0.52  0.23  1.0
  H  H21  1  0.4  0.72  0.56  1.0
  H  H22  1  0.19  0.77  0.44  1.0
  H  H23  1  0.17  0.02  1.0  1.0
  C  C8  1  0.11  0.37  0.16  1.0
  C  C9  1  0.69  0.36  0.94  1.0
  Cl  Cl2  1  0.62  0.07  0.32  1.0
  Cl  Cl3  1  0.14  0.97  0.29  1.0
  Cl  Cl4  1  0.09  0.73  0.19  1.0
  Cl  Cl5  1  0.11  0.32  0.12  1.0
  Cl  Cl6  1  0.34  0.1  0.22  1.0
  Cl  Cl7  1  0.27  0.87  0.25  1.0

data_ZnPH6CCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   7.19
_cell_length_c   14.0
_cell_angle_alpha   89.48
_cell_angle_beta   85.96
_cell_angle_gamma   76.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPH6CCl3
_chemical_formula_sum   'Zn2 P2 H12 C2 Cl6'
_cell_volume   388.68
_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
  Zn  Zn0  1  0.1  0.86  0.5  1.0
  Zn  Zn1  1  0.11  0.15  0.45  1.0
  P  P2  1  0.37  0.94  0.55  1.0
  P  P3  1  0.91  0.99  0.64  1.0
  H  H4  1  0.07  0.53  0.58  1.0
  H  H5  1  0.12  0.3  1.0  1.0
  H  H6  1  0.17  0.02  1.0  1.0
  H  H7  1  0.19  0.77  0.44  1.0
  H  H8  1  0.4  0.72  0.56  1.0
  H  H9  1  0.46  0.04  0.69  1.0
  H  H10  1  0.51  0.52  0.23  1.0
  H  H11  1  0.53  0.47  0.4  1.0
  H  H12  1  0.69  0.15  0.35  1.0
  H  H13  1  0.76  0.99  0.15  1.0
  H  H14  1  0.86  0.97  0.38  1.0
  H  H15  1  1.0  0.32  0.69  1.0
  C  C16  1  0.11  0.37  0.16  1.0
  C  C17  1  0.69  0.36  0.94  1.0
  Cl  Cl18  1  0.09  0.73  0.19  1.0
  Cl  Cl19  1  0.11  0.32  0.12  1.0
  Cl  Cl20  1  0.14  0.97  0.29  1.0
  Cl  Cl21  1  0.27  0.87  0.25  1.0
  Cl  Cl22  1  0.34  0.1  0.22  1.0
  Cl  Cl23  1  0.62  0.07  0.32  1.0

Zn Zn P P H H H H H H H H H H H H C C Cl Cl Cl Cl Cl Cl
Zn Zn P P H H H H H H H H H H H H C C Cl Cl Cl Cl Cl Cl 0 9 - o o 0 6 - - o 0 1 o - o 0 3 o - o 1 14 o o o 1 2 - o o 1 3 o o o 1 13 o o o 2 5 o + o 2 3 + o o 2 7 o + o 3 13 o o o 4 14 o o o 4 13 o o o 4 9 o o o 4 12 o o o 5 7 - o o 6 18 o + o 6 9 o + o 7 10 + o o 8 22 o + o 8 20 + o o 9 18 o o o 10 13 o o o 11 15 o o o 11 17 - o o 11 21 o o + 12 16 o o o 12 16 + o o 12 20 o o o 12 23 o o o 13 14 o o o 16 21 o o o 18 22 o o o 19 23 o o o 19 22 o + o 20 23 o o o 22 23 o - o 