data_Al2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   105.27
_cell_angle_beta   105.27
_cell_angle_gamma   118.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag
_chemical_formula_sum   'Al4 Ag2'
_cell_volume   107.22
_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
  Al  Al2  1  0.95  0.22  0.0  1.0
  Al  Al3  1  0.22  0.95  0.68  1.0
  Al  Al4  1  0.11  0.95  0.0  1.0
  Al  Al5  1  0.05  0.22  0.68  1.0
  Ag  Ag0  1  0.0  0.0  0.01  1.0
  Ag  Ag1  1  0.0  0.0  0.34  1.0

data_Al2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   105.27
_cell_angle_beta   105.27
_cell_angle_gamma   118.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag
_chemical_formula_sum   'Al4 Ag2'
_cell_volume   107.22
_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
  Al  Al0  1  0.05  0.22  0.68  1.0
  Al  Al1  1  0.11  0.95  -0.0  1.0
  Al  Al2  1  0.22  0.95  0.68  1.0
  Al  Al3  1  0.95  0.22  -0.0  1.0
  Ag  Ag4  1  0.0  0.0  0.01  1.0
  Ag  Ag5  1  0.0  0.0  0.34  1.0

Al Al Al Al Ag Ag