data_Fe2CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuAg
_chemical_formula_sum   'Fe2 Cu1 Ag1'
_cell_volume   54.66
_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
  Fe  Fe2  1  0.55  0.0  0.31  1.0
  Fe  Fe3  1  0.0  0.0  0.46  1.0
  Cu  Cu1  1  0.0  0.0  0.93  1.0
  Ag  Ag0  1  0.55  0.0  0.17  1.0

data_Fe2CuAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuAg
_chemical_formula_sum   'Fe2 Cu1 Ag1'
_cell_volume   54.66
_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
  Fe  Fe0  1  0.0  0.0  0.46  1.0
  Fe  Fe1  1  0.55  0.0  0.31  1.0
  Cu  Cu2  1  0.0  0.0  0.93  1.0
  Ag  Ag3  1  0.55  0.0  0.17  1.0

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