data_AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.99
_cell_length_c   11.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al4 Ag4'
_cell_volume   137.13
_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  0.0  0.0  0.11  1.0
  Al  Al5  1  0.53  1.0  0.63  1.0
  Al  Al6  1  0.0  0.0  0.56  1.0
  Al  Al7  1  0.53  1.0  0.08  1.0
  Ag  Ag0  1  0.0  0.0  0.87  1.0
  Ag  Ag1  1  0.53  1.0  0.33  1.0
  Ag  Ag2  1  0.0  0.0  0.86  1.0
  Ag  Ag3  1  0.53  1.0  0.32  1.0

data_AlAg
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   3.07
_cell_length_b   3.99
_cell_length_c   11.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al4 Ag4'
_cell_volume   137.13
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  0.27  0.0  0.99  1.0
  Al  Al1  2  0.27  0.0  0.53  1.0
  Ag  Ag2  2  0.27  0.0  0.22  1.0
  Ag  Ag3  2  0.27  0.0  0.23  1.0

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