# generated using pymatgen
data_Nb6AlFe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91155199
_cell_length_b   4.91155199
_cell_length_c   9.54518095
_cell_angle_alpha   75.09132437
_cell_angle_beta   75.09132442
_cell_angle_gamma   60.00000654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6AlFe6
_chemical_formula_sum   'Nb6 Al1 Fe6'
_cell_volume   190.40949470
_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  0.83276328  0.83276328  0.50170917  1.0
  Nb  Nb1  1  0.16723672  0.16723672  0.49829083  1.0
  Nb  Nb2  1  0.65052663  0.65052663  0.04842110  1.0
  Nb  Nb3  1  0.34947337  0.34947337  0.95157890  1.0
  Nb  Nb4  1  0.54738120  0.54738120  0.35785541  1.0
  Nb  Nb5  1  0.45261880  0.45261880  0.64214459  1.0
  Al  Al6  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe7  1  0.90691265  0.41262340  0.77355230  1.0
  Fe  Fe8  1  0.41262340  0.90691265  0.77355230  1.0
  Fe  Fe9  1  0.90691265  0.90691265  0.77355230  1.0
  Fe  Fe10  1  0.09308735  0.58737660  0.22644770  1.0
  Fe  Fe11  1  0.58737660  0.09308735  0.22644770  1.0
  Fe  Fe12  1  0.09308735  0.09308735  0.22644770  1.0