data_NbCu2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.27
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Ag
_chemical_formula_sum   'Nb1 Cu2 Ag1'
_cell_volume   59.96
_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
  Nb  Nb3  1  0.85  0.0  0.46  1.0
  Cu  Cu1  1  0.92  0.0  0.27  1.0
  Cu  Cu2  1  0.18  0.14  0.34  1.0
  Ag  Ag0  1  0.56  0.14  0.11  1.0

data_NbCu2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.27
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Ag
_chemical_formula_sum   'Nb1 Cu2 Ag1'
_cell_volume   59.96
_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
  Nb  Nb0  1  0.85  0.0  0.46  1.0
  Cu  Cu1  1  0.18  0.14  0.34  1.0
  Cu  Cu2  1  0.92  0.0  0.27  1.0
  Ag  Ag3  1  0.56  0.14  0.11  1.0

Nb Cu Cu Ag
Nb Cu Cu Ag 0 2 + o o 0 1 o o o 1 2 + o o 1 3 o o o 