[CIF]
data_Nb2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50320210
_cell_length_b   4.50320210
_cell_length_c   2.67784121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Fe
_chemical_formula_sum   'Nb2 Fe1'
_cell_volume   47.02819703
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb1  1  2.25160105  1.29996247  1.33892061  1
  Nb  Nb2  1  -0.00000000  2.59992495  1.33892061  1
[/CIF]
