data_AlAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   8.3
_cell_angle_alpha   114.02
_cell_angle_beta   114.02
_cell_angle_gamma   47.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg3
_chemical_formula_sum   'Al2 Ag6'
_cell_volume   137.45
_cell_formula_units_Z   2
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  Al6  1  0.11  0.0  0.42  1.0
  Al  Al7  1  0.42  0.0  0.01  1.0
  Ag  Ag0  1  0.21  0.0  0.15  1.0
  Ag  Ag1  1  0.96  0.0  0.19  1.0
  Ag  Ag2  1  0.57  0.0  0.24  1.0
  Ag  Ag3  1  0.32  0.0  0.28  1.0
  Ag  Ag4  1  0.89  0.0  0.45  1.0
  Ag  Ag5  1  0.65  0.0  0.98  1.0

data_AlAg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.01
_cell_length_b   5.03
_cell_length_c   7.75
_cell_angle_alpha   77.72
_cell_angle_beta   75.01
_cell_angle_gamma   66.47
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlAg3
_chemical_formula_sum   'Al2 Ag6'
_cell_volume   137.45
_cell_formula_units_Z   2
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  0.0  0.37  0.79  1.0
  Ag  Ag1  2  0.0  0.01  0.93  1.0
  Ag  Ag2  2  0.0  0.28  0.02  1.0
  Ag  Ag3  2  0.0  0.39  0.23  1.0

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