data_Zn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Cl
_chemical_formula_sum   'Zn8 Cl4'
_cell_volume   303.29
_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
  Zn  Zn4  1  0.71  0.07  0.01  1.0
  Zn  Zn5  1  0.01  0.65  0.71  1.0
  Zn  Zn6  1  0.07  0.01  0.71  1.0
  Zn  Zn7  1  0.65  0.71  0.01  1.0
  Zn  Zn8  1  0.01  0.71  0.07  1.0
  Zn  Zn9  1  0.71  0.01  0.65  1.0
  Zn  Zn10  1  0.65  0.65  0.65  1.0
  Zn  Zn11  1  0.07  0.07  0.07  1.0
  Cl  Cl0  1  0.36  0.0  0.36  1.0
  Cl  Cl1  1  0.0  0.36  0.36  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.36  0.36  0.0  1.0

data_Zn2Cl
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.5
_cell_length_b   9.5
_cell_length_c   11.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Zn2Cl
_chemical_formula_sum   'Zn24 Cl12'
_cell_volume   909.87
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.08  0.86  0.93  1.0
  Zn  Zn1  9  0.19  0.45  0.46  1.0
  Zn  Zn2  3  0.0  0.0  0.07  1.0
  Zn  Zn3  3  0.0  0.0  0.65  1.0
  Cl  Cl4  9  0.09  0.55  0.91  1.0
  Cl  Cl5  3  0.0  0.0  0.0  1.0

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