data_CuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   147.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuCl
_chemical_formula_sum   'Cu2 Cl2'
_cell_volume   72.18
_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
  Cu  Cu2  1  0.72  0.75  0.64  1.0
  Cu  Cu3  1  0.72  0.25  0.88  1.0
  Cl  Cl0  1  0.72  0.4  0.64  1.0
  Cl  Cl1  1  0.72  0.6  0.88  1.0

data_CuCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.44
_cell_length_b   3.52
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   106.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuCl
_chemical_formula_sum   'Cu2 Cl2'
_cell_volume   72.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cu  Cu0  2  0.25  0.88  0.25  1.0
  Cl  Cl1  2  0.4  0.12  0.4  1.0

Cu Cu Cl Cl