data_AlZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   14.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn3
_chemical_formula_sum   'Al6 Zn18'
_cell_volume   372.88
_cell_formula_units_Z   6
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  0.0  0.52  1.0
  Al  Al1  1  0.0  0.0  0.55  1.0
  Al  Al2  1  0.77  0.6  0.91  1.0
  Al  Al3  1  0.77  0.6  0.19  1.0
  Al  Al4  1  0.0  0.19  0.88  1.0
  Al  Al5  1  0.0  0.19  0.16  1.0
  Zn  Zn6  1  0.77  0.0  0.52  1.0
  Zn  Zn7  1  0.15  0.39  0.52  1.0
  Zn  Zn8  1  0.39  0.39  0.52  1.0
  Zn  Zn9  1  0.0  0.79  0.55  1.0
  Zn  Zn10  1  0.62  0.4  0.55  1.0
  Zn  Zn11  1  0.38  0.4  0.55  1.0
  Zn  Zn12  1  0.77  0.19  0.85  1.0
  Zn  Zn13  1  0.38  0.8  0.85  1.0
  Zn  Zn14  1  0.15  0.8  0.85  1.0
  Zn  Zn15  1  0.77  0.19  0.18  1.0
  Zn  Zn16  1  0.38  0.8  0.18  1.0
  Zn  Zn17  1  0.15  0.8  0.18  1.0
  Zn  Zn18  1  0.0  0.6  0.22  1.0
  Zn  Zn19  1  0.38  0.99  0.22  1.0
  Zn  Zn20  1  0.62  0.99  0.22  1.0
  Zn  Zn21  1  0.0  0.6  0.89  1.0
  Zn  Zn22  1  0.38  0.99  0.89  1.0
  Zn  Zn23  1  0.62  0.99  0.89  1.0

data_AlZn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   14.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn3
_chemical_formula_sum   'Al6 Zn18'
_cell_volume   372.88
_cell_formula_units_Z   6
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  0.19  0.16  1.0
  Al  Al1  1  -0.0  0.19  0.88  1.0
  Al  Al2  1  0.0  0.0  0.52  1.0
  Al  Al3  1  0.0  0.0  0.55  1.0
  Al  Al4  1  0.77  0.6  0.19  1.0
  Al  Al5  1  0.77  0.6  0.91  1.0
  Zn  Zn6  1  -0.0  0.79  0.55  1.0
  Zn  Zn7  1  -0.0  0.6  0.22  1.0
  Zn  Zn8  1  -0.0  0.6  0.89  1.0
  Zn  Zn9  1  0.15  0.39  0.52  1.0
  Zn  Zn10  1  0.15  0.8  0.18  1.0
  Zn  Zn11  1  0.15  0.8  0.85  1.0
  Zn  Zn12  1  0.38  0.4  0.55  1.0
  Zn  Zn13  1  0.38  0.8  0.18  1.0
  Zn  Zn14  1  0.38  0.8  0.85  1.0
  Zn  Zn15  1  0.38  0.99  0.22  1.0
  Zn  Zn16  1  0.38  0.99  0.89  1.0
  Zn  Zn17  1  0.39  0.39  0.52  1.0
  Zn  Zn18  1  0.62  0.99  0.22  1.0
  Zn  Zn19  1  0.62  0.99  0.89  1.0
  Zn  Zn20  1  0.62  0.4  0.55  1.0
  Zn  Zn21  1  0.77  0.0  0.52  1.0
  Zn  Zn22  1  0.77  0.19  0.18  1.0
  Zn  Zn23  1  0.77  0.19  0.85  1.0

Al Al Al Al Al Al Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn