data_ZnCuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.27
_cell_angle_alpha   100.74
_cell_angle_beta   100.74
_cell_angle_gamma   32.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuCl2
_chemical_formula_sum   'Zn1 Cu1 Cl2'
_cell_volume   97.69
_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  Zn3  1  0.67  0.0  0.9  1.0
  Cu  Cu2  1  0.0  0.0  0.23  1.0
  Cl  Cl0  1  0.11  0.0  0.43  1.0
  Cl  Cl1  1  0.11  0.0  0.36  1.0

data_ZnCuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.27
_cell_length_c   5.93
_cell_angle_alpha   100.74
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuCl2
_chemical_formula_sum   'Zn1 Cu1 Cl2'
_cell_volume   97.69
_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  0.0  0.9  0.67  1.0
  Cu  Cu1  1  0.0  0.23  0.0  1.0
  Cl  Cl2  1  0.0  0.36  0.11  1.0
  Cl  Cl3  1  0.0  0.43  0.11  1.0

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