data_Zn3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   146.87
_cell_angle_beta   63.4
_cell_angle_gamma   127.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Cl
_chemical_formula_sum   'Zn3 Cl1'
_cell_volume   75.29
_cell_formula_units_Z   1
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  Zn1  1  0.0  0.77  0.2  1.0
  Zn  Zn2  1  0.6  0.8  0.21  1.0
  Zn  Zn3  1  0.0  0.96  0.68  1.0
  Cl  Cl0  1  0.0  0.0  0.67  1.0

data_Zn3Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.95
_cell_length_c   5.6
_cell_angle_alpha   116.19
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Cl
_chemical_formula_sum   'Zn3 Cl1'
_cell_volume   75.29
_cell_formula_units_Z   1
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  0.2  0.44  0.44  1.0
  Zn  Zn1  1  0.21  0.41  0.0  1.0
  Zn  Zn2  1  0.68  0.72  0.72  1.0
  Cl  Cl3  1  0.67  0.67  0.67  1.0

Zn Zn Zn Cl
Zn Zn Zn Cl 0 3 o + o 0 2 o o o 0 1 o o o 0 1 - o o 0 1 - - - 1 3 o o - 1 3 o + o 1 3 + + - 1 3 + + o 1 2 o - - 1 2 o o o 1 2 + o - 1 2 + o o 1 1 o + + 2 3 o + o 