data_Al5Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ag
_chemical_formula_sum   'Al5 Ag1'
_cell_volume   101.95
_cell_formula_units_Z   1
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  Al1  1  0.31  0.0  0.38  1.0
  Al  Al2  1  0.83  0.44  0.38  1.0
  Al  Al3  1  0.35  0.86  0.38  1.0
  Al  Al4  1  0.49  0.44  0.0  1.0
  Al  Al5  1  0.0  0.87  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Al5Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ag
_chemical_formula_sum   'Al5 Ag1'
_cell_volume   101.95
_cell_formula_units_Z   1
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  0.87  1.0
  Al  Al1  1  0.0  0.49  0.44  1.0
  Al  Al2  1  0.38  0.31  0.0  1.0
  Al  Al3  1  0.38  0.35  0.86  1.0
  Al  Al4  1  0.38  0.83  0.44  1.0
  Ag  Ag5  1  0.0  0.0  0.0  1.0

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