# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32577824
_cell_length_b   5.32577824
_cell_length_c   47.43705125
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Fe
_chemical_formula_sum   'Al30 Fe10'
_cell_volume   1165.23755619
_cell_formula_units_Z   10
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  Al1  1  0.168808  0.665270  0.294989  1
  Al  Al2  1  0.664549  0.169529  0.294989  1
  Al  Al3  1  0.168808  0.169529  0.294989  1
  Al  Al4  1  0.832145  0.338596  0.340682  1
  Al  Al5  1  0.337874  0.832867  0.340682  1
  Al  Al6  1  0.832145  0.832867  0.340682  1
  Al  Al7  1  0.170372  0.662143  0.386052  1
  Al  Al8  1  0.661421  0.171093  0.386052  1
  Al  Al9  1  0.170372  0.171093  0.386052  1
  Al  Al10  1  0.831120  0.340646  0.431565  1
  Al  Al11  1  0.339924  0.831842  0.431565  1
  Al  Al12  1  0.831120  0.831842  0.431565  1
  Al  Al13  1  0.170306  0.662273  0.477103  1
  Al  Al14  1  0.661552  0.171028  0.477103  1
  Al  Al15  1  0.170306  0.171028  0.477103  1
  Al  Al16  1  0.831137  0.340613  0.522637  1
  Al  Al17  1  0.339891  0.831858  0.522637  1
  Al  Al18  1  0.831137  0.831858  0.522637  1
  Al  Al19  1  0.170323  0.662240  0.568175  1
  Al  Al20  1  0.661519  0.171044  0.568175  1
  Al  Al21  1  0.170323  0.171044  0.568175  1
  Al  Al22  1  0.831071  0.340743  0.613688  1
  Al  Al23  1  0.340022  0.831793  0.613688  1
  Al  Al24  1  0.831071  0.831793  0.613688  1
  Al  Al25  1  0.169298  0.664290  0.659059  1
  Al  Al26  1  0.663569  0.170019  0.659059  1
  Al  Al27  1  0.169298  0.170019  0.659059  1
  Al  Al28  1  0.832635  0.337616  0.704751  1
  Al  Al29  1  0.336894  0.833356  0.704751  1
  Al  Al30  1  0.832635  0.833356  0.704751  1
  Fe  Fe31  1  0.334055  0.334776  0.340544  1
  Fe  Fe32  1  0.667388  0.668110  0.297365  1
  Fe  Fe33  1  0.334055  0.334776  0.431573  1
  Fe  Fe34  1  0.667388  0.668110  0.385997  1
  Fe  Fe35  1  0.334055  0.334776  0.522638  1
  Fe  Fe36  1  0.667388  0.668110  0.477102  1
  Fe  Fe37  1  0.334055  0.334776  0.613743  1
  Fe  Fe38  1  0.667388  0.668110  0.568167  1
  Fe  Fe39  1  0.334055  0.334776  0.702375  1
  Fe  Fe40  1  0.667388  0.668110  0.659196  1
