data_AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al3 Ag3'
_cell_volume   102.0
_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  Al3  1  0.0  0.0  0.04  1.0
  Al  Al4  1  0.0  0.0  0.05  1.0
  Al  Al5  1  0.45  0.45  0.04  1.0
  Ag  Ag0  1  0.0  0.0  0.98  1.0
  Ag  Ag1  1  0.45  0.45  0.12  1.0
  Ag  Ag2  1  0.45  0.45  0.01  1.0

data_AlAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlAg
_chemical_formula_sum   'Al6 Ag6'
_cell_volume   204.0
_cell_formula_units_Z   6
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  0.04  1.0
  Al  Al1  2  0.0  0.0  0.05  1.0
  Al  Al2  2  0.45  0.0  0.04  1.0
  Ag  Ag3  2  0.0  0.0  0.98  1.0
  Ag  Ag4  2  0.45  0.0  0.01  1.0
  Ag  Ag5  2  0.45  0.0  0.12  1.0

Al Al Al Ag Ag Ag
Al Al Al Ag Ag Ag 0 1 o o o 0 3 o o - 2 5 o o o 2 4 o o o 