data_NaFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.42
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Ag
_chemical_formula_sum   'Na1 Fe2 Ag1'
_cell_volume   63.05
_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  0.0  1.0
  Fe  Fe1  1  0.45  0.0  0.47  1.0
  Fe  Fe2  1  0.0  0.21  0.47  1.0
  Ag  Ag0  1  0.45  0.21  0.0  1.0

data_NaFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.42
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Ag
_chemical_formula_sum   'Na1 Fe2 Ag1'
_cell_volume   63.05
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  -0.0  0.21  0.47  1.0
  Fe  Fe2  1  0.45  0.0  0.47  1.0
  Ag  Ag3  1  0.45  0.21  0.0  1.0

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