data_NbNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Sn
_chemical_formula_sum   'Nb1 Ni2 Sn1'
_cell_volume   61.28
_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  0.0  1.0
  Ni  Ni1  1  0.45  0.47  0.72  1.0
  Ni  Ni2  1  0.45  0.53  0.72  1.0
  Sn  Sn3  1  0.91  0.0  0.0  1.0

data_NbNi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   93.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Sn
_chemical_formula_sum   'Nb1 Ni2 Sn1'
_cell_volume   61.28
_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  0.0  1.0
  Ni  Ni1  1  0.72  0.45  0.47  1.0
  Ni  Ni2  1  0.72  0.45  0.53  1.0
  Sn  Sn3  1  -0.0  0.91  0.0  1.0

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