data_Nb2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.32
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeSb
_chemical_formula_sum   'Nb2 Fe1 Sb1'
_cell_volume   67.12
_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  0.16  0.21  1.0
  Nb  Nb2  1  0.76  0.0  0.21  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.76  0.16  0.0  1.0

data_Nb2FeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.32
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeSb
_chemical_formula_sum   'Nb2 Fe1 Sb1'
_cell_volume   67.12
_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  0.16  0.21  1.0
  Nb  Nb1  1  0.76  0.0  0.21  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.76  0.16  0.0  1.0

Nb Nb Fe Sb
Nb Nb Fe Sb 0 1 - o o 0 3 - o o 0 2 o o o 1 2 + o o 1 3 o o o 2 3 - o o 