data_Nb2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   141.34
_cell_angle_beta   131.62
_cell_angle_gamma   63.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeSb
_chemical_formula_sum   'Nb2 Fe1 Sb1'
_cell_volume   66.19
_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  0.15  0.32  1.0
  Nb  Nb2  1  0.73  0.0  0.13  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.45  1.0

data_Nb2FeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.29
_cell_length_c   5.24
_cell_angle_alpha   114.19
_cell_angle_beta   109.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeSb
_chemical_formula_sum   'Nb2 Fe1 Sb1'
_cell_volume   66.19
_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  0.61  0.87  0.61  1.0
  Nb  Nb1  1  0.68  0.82  0.82  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.55  0.55  0.55  1.0

Nb Nb Fe Sb