data_ZnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   14.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCl
_chemical_formula_sum   'Zn6 Cl6'
_cell_volume   264.83
_cell_formula_units_Z   6
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  Zn6  1  0.0  0.0  0.99  1.0
  Zn  Zn7  1  0.0  0.0  0.22  1.0
  Zn  Zn8  1  0.0  0.68  0.61  1.0
  Zn  Zn9  1  0.0  0.68  0.1  1.0
  Zn  Zn10  1  0.32  0.34  0.11  1.0
  Zn  Zn11  1  0.32  0.34  0.6  1.0
  Cl  Cl0  1  0.0  0.0  0.45  1.0
  Cl  Cl1  1  0.0  0.0  0.76  1.0
  Cl  Cl2  1  0.0  0.68  0.75  1.0
  Cl  Cl3  1  0.0  0.68  0.08  1.0
  Cl  Cl4  1  0.32  0.34  0.13  1.0
  Cl  Cl5  1  0.32  0.34  0.46  1.0

data_ZnCl
_symmetry_space_group_name_H-M   C2
_cell_length_a   8.04
_cell_length_b   4.64
_cell_length_c   14.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   5
_chemical_formula_structural   ZnCl
_chemical_formula_sum   'Zn12 Cl12'
_cell_volume   529.66
_cell_formula_units_Z   12
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
  Zn  Zn0  4  0.0  0.0  0.12  1.0
  Zn  Zn1  4  0.16  0.84  0.0  1.0
  Zn  Zn2  4  0.16  0.84  0.49  1.0
  Cl  Cl3  4  0.0  0.0  0.34  1.0
  Cl  Cl4  4  0.16  0.84  0.03  1.0
  Cl  Cl5  4  0.16  0.84  0.36  1.0

Zn Zn Zn Zn Zn Zn Cl Cl Cl Cl Cl Cl
Zn Zn Zn Zn Zn Zn Cl Cl Cl Cl Cl Cl 0 9 o - + 0 3 o - + 0 4 o o + 1 3 o - o 1 10 o o o 1 4 o o o 2 8 o o o 3 9 o o o 4 10 o o o 5 11 o o o 6 11 o o o 7 8 o - o 