data_AlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.77
_cell_length_c   7.51
_cell_angle_alpha   69.8
_cell_angle_beta   80.58
_cell_angle_gamma   61.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2
_chemical_formula_sum   'Al4 Ag8'
_cell_volume   204.07
_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  Al8  1  0.26  0.52  0.0  1.0
  Al  Al9  1  0.76  0.21  0.67  1.0
  Al  Al10  1  0.99  0.13  0.37  1.0
  Al  Al11  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  1.0  0.68  0.65  1.0
  Ag  Ag1  1  0.61  0.58  0.25  1.0
  Ag  Ag2  1  0.39  0.52  0.0  1.0
  Ag  Ag3  1  0.14  0.75  0.8  1.0
  Ag  Ag4  1  0.75  0.65  0.39  1.0
  Ag  Ag5  1  0.13  0.13  0.32  1.0
  Ag  Ag6  1  0.87  0.0  0.0  1.0
  Ag  Ag7  1  0.62  0.2  0.72  1.0

data_AlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   5.77
_cell_length_c   7.51
_cell_angle_alpha   69.8
_cell_angle_beta   80.58
_cell_angle_gamma   61.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2
_chemical_formula_sum   'Al4 Ag8'
_cell_volume   204.07
_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  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.26  0.52  -0.0  1.0
  Al  Al2  1  0.76  0.21  0.67  1.0
  Al  Al3  1  0.99  0.13  0.37  1.0
  Ag  Ag4  1  0.13  0.13  0.32  1.0
  Ag  Ag5  1  0.14  0.75  0.8  1.0
  Ag  Ag6  1  0.39  0.52  -0.0  1.0
  Ag  Ag7  1  0.61  0.58  0.25  1.0
  Ag  Ag8  1  0.62  0.2  0.72  1.0
  Ag  Ag9  1  0.75  0.65  0.39  1.0
  Ag  Ag10  1  0.87  0.0  -0.0  1.0
  Ag  Ag11  1  1.0  0.68  0.65  1.0

Al Al Al Al Ag Ag Ag Ag Ag Ag Ag Ag
Al Al Al Al Ag Ag Ag Ag Ag Ag Ag Ag 0 6 o o o 0 7 o o - 1 11 o o o 2 9 + o o 3 10 - o o 4 7 + o o 5 8 o o o 6 7 o o - 