data_Al3Ag5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   16.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ag5
_chemical_formula_sum   'Al3 Ag5'
_cell_volume   138.19
_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  Al5  1  0.45  0.45  0.5  1.0
  Al  Al6  1  0.0  0.0  0.0  1.0
  Al  Al7  1  0.45  0.45  0.03  1.0
  Ag  Ag0  1  0.0  0.0  0.96  1.0
  Ag  Ag1  1  0.45  0.45  0.13  1.0
  Ag  Ag2  1  0.0  0.0  0.27  1.0
  Ag  Ag3  1  0.45  0.45  0.4  1.0
  Ag  Ag4  1  0.0  0.0  0.57  1.0

data_Al3Ag5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   16.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al3Ag5
_chemical_formula_sum   'Al6 Ag10'
_cell_volume   276.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Al  Al1  2  0.45  0.0  0.03  1.0
  Al  Al2  2  0.45  0.0  0.5  1.0
  Ag  Ag3  2  0.0  0.0  0.27  1.0
  Ag  Ag4  2  0.0  0.0  0.57  1.0
  Ag  Ag5  2  0.0  0.0  0.96  1.0
  Ag  Ag6  2  0.45  0.0  0.13  1.0
  Ag  Ag7  2  0.45  0.0  0.4  1.0

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