# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87554413
_cell_length_b   4.87554422
_cell_length_c   8.68812478
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.05724294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al12 Fe2'
_cell_volume   204.48611132
_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
  Al  Al0  1  0.67671808  0.32322525  0.50000247  1.0
  Al  Al1  1  0.14726867  0.14726867  0.09882696  1.0
  Al  Al2  1  0.67677475  0.32328292  0.00000247  1.0
  Al  Al3  1  0.85278106  0.85278106  0.90115774  1.0
  Al  Al4  1  0.02648198  0.39070061  0.75000185  1.0
  Al  Al5  1  0.32328292  0.67677475  0.00000247  1.0
  Al  Al6  1  0.14721894  0.14721894  0.40115774  1.0
  Al  Al7  1  0.97351802  0.60929939  0.25000185  1.0
  Al  Al8  1  0.60929939  0.97351802  0.25000185  1.0
  Al  Al9  1  0.39070061  0.02648198  0.75000185  1.0
  Al  Al10  1  0.85273133  0.85273133  0.59882696  1.0
  Al  Al11  1  0.32322525  0.67671808  0.50000247  1.0
  Fe  Fe12  1  0.46168955  0.46168955  0.25000766  1.0
  Fe  Fe13  1  0.53831045  0.53831045  0.75000766  1.0