# generated using pymatgen
data_Nb2FeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75645990
_cell_length_b   5.75645990
_cell_length_c   3.40402633
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeB2
_chemical_formula_sum   'Nb4 Fe2 B4'
_cell_volume   112.79864379
_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
  Nb  Nb0  1  0.67969900  0.17969900  0.50000000  1
  Nb  Nb1  1  0.32030100  0.82030100  0.50000000  1
  Nb  Nb2  1  0.17969900  0.32030100  0.50000000  1
  Nb  Nb3  1  0.82030100  0.67969900  0.50000000  1
  Fe  Fe4  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  B  B6  1  0.11466500  0.61466500  0.00000000  1
  B  B7  1  0.88533500  0.38533500  0.00000000  1
  B  B8  1  0.61466500  0.88533500  0.00000000  1
  B  B9  1  0.38533500  0.11466500  0.00000000  1
