# generated using pymatgen
data_NbAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93317443
_cell_length_b   4.93652268
_cell_length_c   8.15953200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.78674540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlFe
_chemical_formula_sum   'Nb4 Al4 Fe4'
_cell_volume   173.43317338
_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  0.33507600  0.33502000  0.55401200  1.0
  Nb  Nb1  1  0.66646500  0.66666800  0.43060800  1.0
  Nb  Nb2  1  0.66646500  0.66666800  0.06939200  1.0
  Nb  Nb3  1  0.33507600  0.33502000  0.94598800  1.0
  Al  Al4  1  0.99350100  0.99295200  0.49169700  1.0
  Al  Al5  1  0.99350100  0.99295200  0.00830300  1.0
  Al  Al6  1  0.83370300  0.34659800  0.75000000  1.0
  Al  Al7  1  0.34542000  0.83336300  0.75000000  1.0
  Fe  Fe8  1  0.83501100  0.83645500  0.75000000  1.0
  Fe  Fe9  1  0.17243300  0.65276900  0.25000000  1.0
  Fe  Fe10  1  0.65231600  0.17195000  0.25000000  1.0
  Fe  Fe11  1  0.17103400  0.16958700  0.25000000  1.0