# generated using pymatgen
data_Nb3AlFe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74045845
_cell_length_b   4.74045845
_cell_length_c   7.89296358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3AlFe8
_chemical_formula_sum   'Nb3 Al1 Fe8'
_cell_volume   153.60714571
_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  0.66666700  0.33333300  0.44026500  1
  Nb  Nb1  1  0.66666700  0.33333300  0.06838900  1
  Nb  Nb2  1  0.00000000  0.00000000  0.92289900  1
  Al  Al3  1  0.00000000  0.00000000  0.56039400  1
  Fe  Fe4  1  0.33333300  0.66666700  0.50236700  1
  Fe  Fe5  1  0.33333300  0.66666700  0.00677200  1
  Fe  Fe6  1  0.50242300  0.00484600  0.74799700  1
  Fe  Fe7  1  0.50242300  0.49757700  0.74799700  1
  Fe  Fe8  1  0.99515400  0.49757700  0.74799700  1
  Fe  Fe9  1  0.16351800  0.32703600  0.25160100  1
  Fe  Fe10  1  0.16351800  0.83648200  0.25160100  1
  Fe  Fe11  1  0.67296400  0.83648200  0.25160100  1
