data_Al2CuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   7.14
_cell_angle_alpha   128.57
_cell_angle_beta   128.57
_cell_angle_gamma   32.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuCl
_chemical_formula_sum   'Al2 Cu1 Cl1'
_cell_volume   83.37
_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
  Al  Al0  1  0.47  0.0  0.56  1.0
  Al  Al1  1  0.24  0.0  0.88  1.0
  Cu  Cu3  1  0.85  0.0  0.72  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Al2CuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.38
_cell_length_c   5.66
_cell_angle_alpha   80.58
_cell_angle_beta   74.78
_cell_angle_gamma   73.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuCl
_chemical_formula_sum   'Al2 Cu1 Cl1'
_cell_volume   83.37
_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
  Al  Al0  1  0.0  0.36  0.88  1.0
  Al  Al1  1  0.0  0.91  0.56  1.0
  Cu  Cu2  1  0.0  0.14  0.72  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Al Al Cu Cl