data_Al6Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.98
_cell_angle_alpha   110.72
_cell_angle_beta   110.72
_cell_angle_gamma   26.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Ag
_chemical_formula_sum   'Al6 Ag1'
_cell_volume   117.26
_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  0.56  0.0  0.93  1.0
  Al  Al2  1  0.61  0.0  0.88  1.0
  Al  Al3  1  0.71  0.0  0.82  1.0
  Al  Al4  1  0.24  0.0  0.68  1.0
  Al  Al5  1  0.34  0.0  0.63  1.0
  Al  Al6  1  0.39  0.0  0.58  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Al6Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   6.41
_cell_length_c   6.98
_cell_angle_alpha   110.72
_cell_angle_beta   90.0
_cell_angle_gamma   103.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Ag
_chemical_formula_sum   'Al6 Ag1'
_cell_volume   117.26
_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  0.29  0.18  1.0
  Al  Al1  1  0.0  0.39  0.12  1.0
  Al  Al2  1  0.0  0.44  0.07  1.0
  Al  Al3  1  0.0  0.61  0.42  1.0
  Al  Al4  1  0.0  0.66  0.37  1.0
  Al  Al5  1  0.0  0.76  0.32  1.0
  Ag  Ag6  1  0.0  0.0  0.0  1.0

Al Al Al Al Al Al Ag