data_AlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2
_chemical_formula_sum   'Al3 Ag6'
_cell_volume   159.78
_cell_formula_units_Z   3
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  0.0  0.95  0.97  1.0
  Al  Al7  1  0.42  0.98  0.97  1.0
  Al  Al8  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.73  0.0  0.97  1.0
  Ag  Ag1  1  0.14  0.5  0.97  1.0
  Ag  Ag2  1  0.56  0.43  0.97  1.0
  Ag  Ag3  1  0.98  0.0  0.0  1.0
  Ag  Ag4  1  0.01  0.44  0.0  1.0
  Ag  Ag5  1  0.44  0.49  0.0  1.0

data_AlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2
_chemical_formula_sum   'Al3 Ag6'
_cell_volume   159.78
_cell_formula_units_Z   3
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  0.0  1.0
  Al  Al1  1  0.97  -0.0  0.95  1.0
  Al  Al2  1  0.97  0.42  0.98  1.0
  Ag  Ag3  1  0.0  0.98  0.0  1.0
  Ag  Ag4  1  0.0  0.01  0.44  1.0
  Ag  Ag5  1  0.0  0.44  0.49  1.0
  Ag  Ag6  1  0.97  0.14  0.5  1.0
  Ag  Ag7  1  0.97  0.56  0.43  1.0
  Ag  Ag8  1  0.97  0.73  0.0  1.0

Al Al Al Ag Ag Ag Ag Ag Ag