data_FeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   3.69
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg
_chemical_formula_sum   'Fe4 Ag4'
_cell_volume   129.69
_cell_formula_units_Z   4
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
  Fe  Fe4  1  0.25  0.92  0.23  1.0
  Fe  Fe5  1  0.19  0.77  0.68  1.0
  Fe  Fe6  1  0.69  0.92  0.43  1.0
  Fe  Fe7  1  0.63  0.77  0.88  1.0
  Ag  Ag0  1  0.23  0.92  0.6  1.0
  Ag  Ag1  1  0.21  0.77  0.15  1.0
  Ag  Ag2  1  0.67  0.92  0.95  1.0
  Ag  Ag3  1  0.65  0.77  0.5  1.0

data_FeAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.69
_cell_length_b   5.1
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   FeAg
_chemical_formula_sum   'Fe4 Ag4'
_cell_volume   129.69
_cell_formula_units_Z   4
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
  Fe  Fe0  2  0.42  0.62  0.75  1.0
  Fe  Fe1  2  0.42  0.82  0.19  1.0
  Ag  Ag2  2  0.42  0.1  0.77  1.0
  Ag  Ag3  2  0.42  0.45  0.21  1.0

Fe Fe Fe Fe Ag Ag Ag Ag
Fe Fe Fe Fe Ag Ag Ag Ag 0 5 o o o 1 4 o o o 2 7 o o o 3 6 o o o 