data_NaFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Ag
_chemical_formula_sum   'Na1 Fe2 Ag1'
_cell_volume   63.82
_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  0.32  0.69  0.31  1.0
  Fe  Fe2  1  0.32  0.31  0.31  1.0
  Ag  Ag0  1  0.64  0.0  0.0  1.0

data_NaFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.27
_cell_length_c   5.31
_cell_angle_alpha   119.74
_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   63.82
_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  0.31  0.31  0.63  1.0
  Fe  Fe2  1  0.31  0.69  0.01  1.0
  Ag  Ag3  1  0.0  0.0  0.64  1.0

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