data_Al2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   9.76
_cell_angle_alpha   94.65
_cell_angle_beta   94.65
_cell_angle_gamma   120.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ag
_chemical_formula_sum   'Al8 Ag4'
_cell_volume   204.18
_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  0.92  0.13  0.22  1.0
  Al  Al5  1  0.64  0.3  0.03  1.0
  Al  Al6  1  0.23  0.13  0.6  1.0
  Al  Al7  1  0.44  0.7  0.21  1.0
  Al  Al8  1  0.92  0.3  0.42  1.0
  Al  Al9  1  0.13  0.87  0.03  1.0
  Al  Al10  1  0.71  0.7  0.6  1.0
  Al  Al11  1  0.43  0.87  0.42  1.0
  Ag  Ag0  1  0.12  0.74  1.0  1.0
  Ag  Ag1  1  0.23  0.26  0.64  1.0
  Ag  Ag2  1  0.44  0.74  0.45  1.0
  Ag  Ag3  1  0.91  0.26  0.18  1.0

data_Al2Ag
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.94
_cell_length_b   4.95
_cell_length_c   9.76
_cell_angle_alpha   85.35
_cell_angle_beta   80.65
_cell_angle_gamma   60.08
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Ag
_chemical_formula_sum   'Al8 Ag4'
_cell_volume   204.18
_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  0.13  0.61  0.6  1.0
  Al  Al1  2  0.13  0.92  0.22  1.0
  Al  Al2  2  0.3  0.44  0.4  1.0
  Al  Al3  2  0.3  0.16  0.79  1.0
  Ag  Ag4  2  0.26  0.48  0.64  1.0
  Ag  Ag5  2  0.26  0.79  0.18  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 11 o o o 0 1 o o o 0 3 + o o 0 3 o - o 0 4 o o o 1 5 o - o 1 5 + o o 1 11 o o o 1 8 + o - 2 9 o o o 2 4 - o o 2 6 o o o 2 6 - - o 3 11 - o o 3 11 o + o 3 5 o o o 3 8 o o - 3 10 o o o 3 7 o o o 4 10 o - o 4 10 + o o 4 7 o - o 4 7 + o o 4 11 o o o 4 9 + o o 5 8 o o - 6 9 o o o 6 10 o o o 6 7 o o o 7 10 o o o 