data_AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   4.93
_cell_angle_alpha   103.44
_cell_angle_beta   103.44
_cell_angle_gamma   55.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al4 Ag4'
_cell_volume   137.18
_cell_formula_units_Z   4
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  Al4  1  0.65  0.73  0.7  1.0
  Al  Al5  1  0.3  0.27  0.31  1.0
  Al  Al6  1  0.89  0.73  0.45  1.0
  Al  Al7  1  0.53  0.27  0.07  1.0
  Ag  Ag0  1  0.66  0.01  0.68  1.0
  Ag  Ag1  1  0.31  0.99  0.3  1.0
  Ag  Ag2  1  0.53  0.99  0.08  1.0
  Ag  Ag3  1  0.88  0.01  0.46  1.0

data_AlAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.93
_cell_length_b   5.5
_cell_length_c   5.92
_cell_angle_alpha   117.68
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al4 Ag4'
_cell_volume   137.18
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.27  0.21  1.0
  Al  Al1  2  0.43  0.27  0.98  1.0
  Ag  Ag2  2  0.2  0.99  0.92  1.0
  Ag  Ag3  2  0.42  0.99  0.7  1.0

Al Al Al Al Ag Ag Ag Ag