# generated using pymatgen
data_NbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80547065
_cell_length_b   4.80547065
_cell_length_c   7.85371982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2
_chemical_formula_sum   'Nb4 Fe8'
_cell_volume   157.06444850
_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  0.33333300  0.66666700  0.43625100  1
  Nb  Nb1  1  0.66666700  0.33333300  0.56374900  1
  Nb  Nb2  1  0.66666700  0.33333300  0.93625100  1
  Nb  Nb3  1  0.33333300  0.66666700  0.06374900  1
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe6  1  0.83103200  0.16896800  0.25000000  1
  Fe  Fe7  1  0.83103200  0.66206400  0.25000000  1
  Fe  Fe8  1  0.33793600  0.16896800  0.25000000  1
  Fe  Fe9  1  0.16896800  0.83103200  0.75000000  1
  Fe  Fe10  1  0.16896800  0.33793600  0.75000000  1
  Fe  Fe11  1  0.66206400  0.83103200  0.75000000  1
