data_Al2Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   5.89
_cell_length_c   6.32
_cell_angle_alpha   102.08
_cell_angle_beta   96.06
_cell_angle_gamma   108.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag3
_chemical_formula_sum   'Al4 Ag6'
_cell_volume   169.66
_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  Al6  1  0.0  0.0  0.0  1.0
  Al  Al7  1  0.03  0.56  0.44  1.0
  Al  Al8  1  0.08  0.8  0.0  1.0
  Al  Al9  1  0.46  0.42  0.64  1.0
  Ag  Ag0  1  0.54  0.55  0.23  1.0
  Ag  Ag1  1  0.91  0.14  0.85  1.0
  Ag  Ag2  1  0.04  0.36  0.36  1.0
  Ag  Ag3  1  0.44  0.62  0.72  1.0
  Ag  Ag4  1  0.58  0.84  0.23  1.0
  Ag  Ag5  1  0.94  0.43  0.85  1.0

data_Al2Ag3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.99
_cell_length_b   5.89
_cell_length_c   6.32
_cell_angle_alpha   102.08
_cell_angle_beta   96.06
_cell_angle_gamma   108.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag3
_chemical_formula_sum   'Al4 Ag6'
_cell_volume   169.66
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.03  0.56  0.44  1.0
  Al  Al2  1  0.08  0.8  -0.0  1.0
  Al  Al3  1  0.46  0.42  0.64  1.0
  Ag  Ag4  1  0.04  0.36  0.36  1.0
  Ag  Ag5  1  0.44  0.62  0.72  1.0
  Ag  Ag6  1  0.54  0.55  0.23  1.0
  Ag  Ag7  1  0.58  0.84  0.23  1.0
  Ag  Ag8  1  0.91  0.14  0.85  1.0
  Ag  Ag9  1  0.94  0.43  0.85  1.0

Al Al Al Al Ag Ag Ag Ag Ag Ag
Al Al Al Al Ag Ag Ag Ag Ag Ag 0 5 - o - 0 2 o - o 1 6 o o o 2 9 - o - 3 7 o o o 4 8 o o o 5 9 o o o 