data_Nb2CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuAg
_chemical_formula_sum   'Nb2 Cu1 Ag1'
_cell_volume   66.71
_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  Nb2  1  0.74  0.0  0.12  1.0
  Nb  Nb3  1  0.0  0.0  0.65  1.0
  Cu  Cu1  1  0.0  0.0  0.18  1.0
  Ag  Ag0  1  0.74  0.0  0.28  1.0

data_Nb2CuAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuAg
_chemical_formula_sum   'Nb2 Cu1 Ag1'
_cell_volume   66.71
_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  0.0  0.0  0.65  1.0
  Nb  Nb1  1  0.74  0.0  0.12  1.0
  Cu  Cu2  1  0.0  0.0  0.18  1.0
  Ag  Ag3  1  0.74  0.0  0.28  1.0

Nb Nb Cu Ag