[CIF]
data_NbAlFe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46296147
_cell_length_b   6.46296147
_cell_length_c   11.27397243
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.58025969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlFe6
_chemical_formula_sum   'Nb4 Al4 Fe24'
_cell_volume   396.80864771
_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
  Al  Al0  1  3.10464249  -2.83282899  0.00000000  1
  Al  Al1  1  3.10464249  2.83282899  0.00000000  1
  Al  Al2  1  0.00000000  0.00000000  8.49027249  1
  Al  Al3  1  0.00000000  0.00000000  2.78369994  1
  Fe  Fe4  1  3.10464249  -2.87814194  8.52562925  1
  Fe  Fe5  1  1.54935346  -1.42502943  9.90610778  1
  Fe  Fe6  1  4.65993152  1.42502943  9.90610778  1
  Fe  Fe7  1  3.10464249  2.87814194  8.52562925  1
  Fe  Fe8  1  4.65993152  -1.42502943  9.90610778  1
  Fe  Fe9  1  1.54935346  1.42502943  9.90610778  1
  Fe  Fe10  1  0.00000000  0.00000000  5.63698622  1
  Fe  Fe11  1  4.68086271  1.41687891  7.07245355  1
  Fe  Fe12  1  4.68086271  -1.41687891  7.07245355  1
  Fe  Fe13  1  3.10464249  -2.87814194  2.74834318  1
  Fe  Fe14  1  1.52842227  -1.41687891  4.20151888  1
  Fe  Fe15  1  4.68086271  1.41687891  4.20151888  1
  Fe  Fe16  1  3.10464249  2.87814194  2.74834318  1
  Fe  Fe17  1  4.68086271  -1.41687891  4.20151888  1
  Fe  Fe18  1  1.52842227  1.41687891  4.20151888  1
  Fe  Fe19  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe20  1  4.65993152  1.42502943  1.36786465  1
  Fe  Fe21  1  4.65993152  -1.42502943  1.36786465  1
  Fe  Fe22  1  3.10464249  0.00000000  5.63698622  1
  Fe  Fe23  1  1.52842227  1.41687891  7.07245355  1
  Fe  Fe24  1  1.52842227  -1.41687891  7.07245355  1
  Fe  Fe25  1  3.10464249  0.00000000  0.00000000  1
  Fe  Fe26  1  1.54935346  1.42502943  1.36786465  1
  Fe  Fe27  1  1.54935346  -1.42502943  1.36786465  1
  Nb  Nb28  1  3.10464249  -2.80291874  5.63698622  1
  Nb  Nb29  1  3.10464249  2.80291874  5.63698622  1
  Nb  Nb30  1  3.10464249  0.00000000  8.46913481  1
  Nb  Nb31  1  3.10464249  0.00000000  2.80483762  1
[/CIF]
