data_AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   5.68
_cell_length_c   7.71
_cell_angle_alpha   69.84
_cell_angle_beta   89.38
_cell_angle_gamma   88.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al6 Ag6'
_cell_volume   203.69
_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  Al6  1  0.0  0.0  0.0  1.0
  Al  Al7  1  0.48  0.49  0.83  1.0
  Al  Al8  1  0.18  0.33  0.42  1.0
  Al  Al9  1  0.07  0.84  0.0  1.0
  Al  Al10  1  0.0  1.0  0.83  1.0
  Al  Al11  1  0.7  0.84  0.41  1.0
  Ag  Ag0  1  0.62  0.9  0.17  1.0
  Ag  Ag1  1  0.4  0.63  0.76  1.0
  Ag  Ag2  1  0.23  0.16  0.36  1.0
  Ag  Ag3  1  0.95  0.18  0.88  1.0
  Ag  Ag4  1  0.78  0.7  0.48  1.0
  Ag  Ag5  1  0.56  0.43  0.07  1.0

data_AlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   5.68
_cell_length_c   7.71
_cell_angle_alpha   69.84
_cell_angle_beta   89.38
_cell_angle_gamma   88.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al6 Ag6'
_cell_volume   203.69
_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  0.0  1.0
  Al  Al1  1  0.0  1.0  0.83  1.0
  Al  Al2  1  0.07  0.84  0.0  1.0
  Al  Al3  1  0.18  0.33  0.42  1.0
  Al  Al4  1  0.48  0.49  0.83  1.0
  Al  Al5  1  0.7  0.84  0.41  1.0
  Ag  Ag6  1  0.23  0.16  0.36  1.0
  Ag  Ag7  1  0.4  0.63  0.76  1.0
  Ag  Ag8  1  0.56  0.43  0.07  1.0
  Ag  Ag9  1  0.62  0.9  0.17  1.0
  Ag  Ag10  1  0.78  0.7  0.48  1.0
  Ag  Ag11  1  0.95  0.18  0.88  1.0

Al Al Al Al Al Al Ag Ag Ag Ag Ag Ag