data_AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   5.25
_cell_length_c   5.48
_cell_angle_alpha   76.11
_cell_angle_beta   89.9
_cell_angle_gamma   79.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al4 Ag4'
_cell_volume   136.78
_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  0.57  0.28  0.72  1.0
  Al  Al5  1  0.07  0.96  0.32  1.0
  Al  Al6  1  0.91  0.54  1.0  1.0
  Al  Al7  1  0.41  0.21  0.59  1.0
  Ag  Ag0  1  0.06  0.6  0.97  1.0
  Ag  Ag1  1  0.92  0.89  0.34  1.0
  Ag  Ag2  1  0.41  0.5  0.92  1.0
  Ag  Ag3  1  0.57  1.0  0.39  1.0

data_AlAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.99
_cell_length_b   5.25
_cell_length_c   5.48
_cell_angle_alpha   76.11
_cell_angle_beta   89.9
_cell_angle_gamma   79.23
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al4 Ag4'
_cell_volume   136.78
_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  0.08  0.04  0.56  1.0
  Al  Al1  2  0.42  0.29  0.84  1.0
  Ag  Ag2  2  0.08  0.75  0.24  1.0
  Ag  Ag3  2  0.43  0.64  0.19  1.0

Al Al Al Al Ag Ag Ag Ag