data_NaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   123.44
_cell_angle_beta   123.44
_cell_angle_gamma   84.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg
_chemical_formula_sum   'Na2 Ag2'
_cell_volume   87.37
_cell_formula_units_Z   2
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  Na2  1  0.0  0.41  0.89  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.41  0.0  0.89  1.0
  Ag  Ag1  1  0.0  0.0  0.77  1.0

data_NaAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.08
_cell_angle_alpha   118.28
_cell_angle_beta   118.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg
_chemical_formula_sum   'Na2 Ag2'
_cell_volume   87.37
_cell_formula_units_Z   2
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  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.48  0.89  0.48  1.0
  Ag  Ag2  1  0.77  0.77  0.77  1.0
  Ag  Ag3  1  0.89  0.48  0.48  1.0

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