data_Al2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.59
_cell_angle_alpha   109.75
_cell_angle_beta   109.75
_cell_angle_gamma   35.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag
_chemical_formula_sum   'Al6 Ag3'
_cell_volume   152.03
_cell_formula_units_Z   3
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  Al3  1  0.23  0.0  0.98  1.0
  Al  Al4  1  0.79  0.0  0.14  1.0
  Al  Al5  1  0.04  0.0  0.13  1.0
  Al  Al6  1  0.96  0.0  0.03  1.0
  Al  Al7  1  0.21  0.0  0.02  1.0
  Al  Al8  1  0.77  0.0  0.18  1.0
  Ag  Ag0  1  0.13  0.0  0.17  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.87  0.0  0.99  1.0

data_Al2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   6.49
_cell_length_c   6.59
_cell_angle_alpha   109.75
_cell_angle_beta   90.0
_cell_angle_gamma   107.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag
_chemical_formula_sum   'Al6 Ag3'
_cell_volume   152.03
_cell_formula_units_Z   3
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  0.04  0.97  1.0
  Al  Al1  1  0.0  0.21  0.86  1.0
  Al  Al2  1  0.0  0.23  0.82  1.0
  Al  Al3  1  0.0  0.77  0.02  1.0
  Al  Al4  1  0.0  0.79  0.98  1.0
  Al  Al5  1  0.0  0.96  0.87  1.0
  Ag  Ag6  1  0.0  0.0  0.0  1.0
  Ag  Ag7  1  0.0  0.13  0.01  1.0
  Ag  Ag8  1  0.0  0.87  0.83  1.0

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