data_NaAl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.99
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Ag
_chemical_formula_sum   'Na1 Al2 Ag1'
_cell_volume   80.18
_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
  Na  Na3  1  0.0  0.0  0.49  1.0
  Al  Al1  1  0.0  0.0  0.88  1.0
  Al  Al2  1  0.45  1.0  0.38  1.0
  Ag  Ag0  1  0.45  1.0  0.51  1.0

data_NaAl2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.91
_cell_length_b   3.99
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaAl2Ag
_chemical_formula_sum   'Na1 Al2 Ag1'
_cell_volume   80.18
_cell_formula_units_Z   1
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
  Na  Na0  1  0.0  0.0  0.49  1.0
  Al  Al1  1  0.0  0.0  0.88  1.0
  Al  Al2  1  0.45  0.0  0.38  1.0
  Ag  Ag3  1  0.45  0.0  0.51  1.0

Na Al Al Ag
Na Al Al Ag 0 3 - - o 0 3 o - o 0 2 o - o 0 1 o o o 1 3 - - o 1 3 o - o 1 1 + o o 2 3 o o o 