# generated using pymatgen
data_NbAlFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79912560
_cell_length_b   4.79912560
_cell_length_c   7.72893841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlFe4
_chemical_formula_sum   'Nb2 Al2 Fe8'
_cell_volume   154.16106808
_cell_formula_units_Z   2
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  0.92201600  1
  Nb  Nb1  1  0.33333300  0.66666700  0.07798400  1
  Al  Al2  1  0.33333300  0.66666700  0.44433300  1
  Al  Al3  1  0.66666700  0.33333300  0.55566700  1
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe6  1  0.83082400  0.16917600  0.25237000  1
  Fe  Fe7  1  0.83082400  0.66164800  0.25237000  1
  Fe  Fe8  1  0.33835200  0.16917600  0.25237000  1
  Fe  Fe9  1  0.16917600  0.83082400  0.74763000  1
  Fe  Fe10  1  0.16917600  0.33835200  0.74763000  1
  Fe  Fe11  1  0.66164800  0.83082400  0.74763000  1
