data_AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   8.11
_cell_angle_alpha   108.64
_cell_angle_beta   108.64
_cell_angle_gamma   22.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al5 Ag5'
_cell_volume   169.48
_cell_formula_units_Z   5
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  Al5  1  0.94  0.0  0.05  1.0
  Al  Al6  1  0.87  0.0  0.21  1.0
  Al  Al7  1  0.73  0.0  0.88  1.0
  Al  Al8  1  0.38  0.0  0.6  1.0
  Al  Al9  1  0.23  0.0  0.27  1.0
  Ag  Ag0  1  0.37  0.0  0.66  1.0
  Ag  Ag1  1  0.17  0.0  0.22  1.0
  Ag  Ag2  1  0.74  0.0  0.83  1.0
  Ag  Ag3  1  0.52  0.0  0.66  1.0
  Ag  Ag4  1  0.6  0.0  0.82  1.0

data_AlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   7.65
_cell_length_c   8.11
_cell_angle_alpha   108.64
_cell_angle_beta   90.0
_cell_angle_gamma   101.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al5 Ag5'
_cell_volume   169.48
_cell_formula_units_Z   5
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  0.06  0.95  1.0
  Al  Al1  1  0.0  0.13  0.79  1.0
  Al  Al2  1  0.0  0.27  0.12  1.0
  Al  Al3  1  0.0  0.62  0.4  1.0
  Al  Al4  1  0.0  0.77  0.73  1.0
  Ag  Ag5  1  0.0  0.26  0.17  1.0
  Ag  Ag6  1  0.0  0.4  0.18  1.0
  Ag  Ag7  1  0.0  0.48  0.34  1.0
  Ag  Ag8  1  0.0  0.63  0.34  1.0
  Ag  Ag9  1  0.0  0.83  0.78  1.0

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