data_NbFeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   147.05
_cell_angle_beta   134.57
_cell_angle_gamma   57.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeNi
_chemical_formula_sum   'Nb1 Fe1 Ni1'
_cell_volume   40.08
_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  0.0  0.0  0.51  1.0
  Fe  Fe0  1  0.0  0.0  0.19  1.0
  Ni  Ni2  1  0.0  0.0  0.83  1.0

data_NbFeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.63
_cell_length_c   4.71
_cell_angle_alpha   112.71
_cell_angle_beta   106.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeNi
_chemical_formula_sum   'Nb1 Fe1 Ni1'
_cell_volume   40.08
_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  0.51  0.51  1.0
  Fe  Fe1  1  0.0  0.19  0.19  1.0
  Ni  Ni2  1  0.0  0.83  0.83  1.0

Nb Fe Ni