data_AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al4 Ag4'
_cell_volume   135.46
_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  0.95  0.0  0.0  1.0
  Al  Al5  1  0.02  0.38  0.5  1.0
  Al  Al6  1  0.02  0.62  0.5  1.0
  Al  Al7  1  0.09  0.0  0.0  1.0
  Ag  Ag0  1  0.02  0.78  0.5  1.0
  Ag  Ag1  1  0.01  0.81  0.0  1.0
  Ag  Ag2  1  0.02  0.22  0.5  1.0
  Ag  Ag3  1  0.01  0.19  0.0  1.0

data_AlAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.91
_cell_length_b   3.0
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al4 Ag4'
_cell_volume   135.46
_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  1  0.02  0.5  0.38  1.0
  Al  Al1  1  0.02  0.5  0.62  1.0
  Al  Al2  1  0.09  0.0  0.0  1.0
  Al  Al3  1  0.95  0.0  0.0  1.0
  Ag  Ag4  1  0.01  0.0  0.19  1.0
  Ag  Ag5  1  0.01  0.0  0.81  1.0
  Ag  Ag6  1  0.02  0.5  0.22  1.0
  Ag  Ag7  1  0.02  0.5  0.78  1.0

Al Al Al Al Ag Ag Ag Ag