# generated using pymatgen
data_NbFeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68502675
_cell_length_b   3.68502675
_cell_length_c   2.95803600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeB
_chemical_formula_sum   'Nb1 Fe1 B1'
_cell_volume   34.78686711
_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
  Nb  Nb0  1  0.33333300  0.66666700  0.00000000  1.0
  Fe  Fe1  1  0.66666700  0.33333300  0.50000000  1.0
  B  B2  1  0.00000000  0.00000000  0.50000000  1.0