data_NbAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.72
_cell_length_c   2.83
_cell_angle_alpha   76.09
_cell_angle_beta   75.36
_cell_angle_gamma   28.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlNi
_chemical_formula_sum   'Nb1 Al1 Ni1'
_cell_volume   42.84
_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  0.97  0.02  0.2  1.0
  Al  Al0  1  0.97  0.02  0.55  1.0
  Ni  Ni2  1  0.97  0.02  0.72  1.0

data_NbAlNi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.83
_cell_length_b   10.74
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   NbAlNi
_chemical_formula_sum   'Nb2 Al2 Ni2'
_cell_volume   85.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.17  1.0
  Al  Al1  2  0.0  0.0  0.52  1.0
  Ni  Ni2  2  0.0  0.0  0.7  1.0

Nb Al Ni