data_Na3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   126.98
_cell_angle_beta   126.98
_cell_angle_gamma   78.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Ag
_chemical_formula_sum   'Na3 Ag1'
_cell_volume   108.5
_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  Na0  1  0.5  0.0  0.17  1.0
  Na  Na1  1  0.0  0.5  0.17  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.34  1.0

data_Na3Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   129.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na3Ag
_chemical_formula_sum   'Na6 Ag2'
_cell_volume   217.0
_cell_formula_units_Z   2
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
  Na  Na0  4  0.25  0.25  0.67  1.0
  Na  Na1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.0  0.0  0.34  1.0

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