data_Al2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag
_chemical_formula_sum   'Al8 Ag4'
_cell_volume   202.8
_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  0.45  0.84  0.54  1.0
  Al  Al5  1  0.0  0.0  0.02  1.0
  Al  Al6  1  0.45  0.22  0.26  1.0
  Al  Al7  1  1.0  0.39  0.53  1.0
  Al  Al8  1  0.55  0.22  0.26  1.0
  Al  Al9  1  0.93  0.41  0.54  1.0
  Al  Al10  1  1.0  0.71  0.26  1.0
  Al  Al11  1  0.42  0.84  0.54  1.0
  Ag  Ag0  1  0.54  0.54  0.77  1.0
  Ag  Ag1  1  0.93  0.69  0.38  1.0
  Ag  Ag2  1  1.0  0.08  0.77  1.0
  Ag  Ag3  1  0.46  0.54  0.77  1.0

data_Al2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag
_chemical_formula_sum   'Al8 Ag4'
_cell_volume   202.8
_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  0.02  1.0
  Al  Al1  1  0.42  0.84  0.54  1.0
  Al  Al2  1  0.45  0.84  0.54  1.0
  Al  Al3  1  0.45  0.22  0.26  1.0
  Al  Al4  1  0.55  0.22  0.26  1.0
  Al  Al5  1  0.93  0.41  0.54  1.0
  Al  Al6  1  1.0  0.39  0.53  1.0
  Al  Al7  1  1.0  0.71  0.26  1.0
  Ag  Ag8  1  0.46  0.54  0.77  1.0
  Ag  Ag9  1  0.54  0.54  0.77  1.0
  Ag  Ag10  1  0.93  0.69  0.38  1.0
  Ag  Ag11  1  1.0  0.08  0.77  1.0

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