data_NbNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.16
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   105.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Ag
_chemical_formula_sum   'Nb1 Ni2 Ag1'
_cell_volume   56.8
_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  Nb1  1  0.52  0.0  0.96  1.0
  Ni  Ni2  1  0.92  0.08  0.92  1.0
  Ni  Ni3  1  0.2  0.0  0.27  1.0
  Ag  Ag0  1  0.86  0.08  0.28  1.0

data_NbNi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.16
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   105.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Ag
_chemical_formula_sum   'Nb1 Ni2 Ag1'
_cell_volume   56.8
_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  0.52  0.0  0.96  1.0
  Ni  Ni1  1  0.2  0.0  0.27  1.0
  Ni  Ni2  1  0.92  0.08  0.92  1.0
  Ag  Ag3  1  0.86  0.08  0.28  1.0

Nb Ni Ni Ag
Nb Ni Ni Ag 0 1 o o o 2 3 - o o 