# generated using pymatgen
data_NbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77689655
_cell_length_b   4.77686000
_cell_length_c   8.07760415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99886318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2
_chemical_formula_sum   'Nb4 Fe8'
_cell_volume   159.62706297
_cell_formula_units_Z   4
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  0.33332131  0.66665671  0.43305450  1.0
  Nb  Nb1  1  0.66667869  0.33334329  0.56694550  1.0
  Nb  Nb2  1  0.66667869  0.33334329  0.93305450  1.0
  Nb  Nb3  1  0.33332131  0.66665671  0.06694550  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.17028121  0.82970232  0.75000000  1.0
  Fe  Fe7  1  0.17028111  0.34057364  0.75000000  1.0
  Fe  Fe8  1  0.65941179  0.82970348  0.75000000  1.0
  Fe  Fe9  1  0.82971879  0.17029768  0.25000000  1.0
  Fe  Fe10  1  0.82971889  0.65942636  0.25000000  1.0
  Fe  Fe11  1  0.34058821  0.17029652  0.25000000  1.0