[CIF]
data_NbFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92181669
_cell_length_b   4.92181669
_cell_length_c   4.91147805
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   136.79547125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeSi
_chemical_formula_sum   'Nb2 Fe2 Si2'
_cell_volume   81.45222778
_cell_formula_units_Z   2
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
  Fe  Fe1  1  -0.00000000  -0.00000000  2.45573902  1
  Nb  Nb2  1  1.81202242  1.92995728  3.68360854  1
  Nb  Nb3  1  1.81202242  -1.92995728  1.22786951  1
  Si  Si4  1  1.81202242  0.76704045  1.22786951  1
  Si  Si5  1  1.81202242  -0.76704045  3.68360854  1
[/CIF]
