# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54206185
_cell_length_b   6.54206185
_cell_length_c   52.49863949
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al32 Fe64'
_cell_volume   2246.86686497
_cell_formula_units_Z   32
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  0.750972  0.750972  0.287462  1
  Al  Al2  1  1.000972  0.000972  0.259152  1
  Al  Al3  1  0.250972  0.250972  0.287462  1
  Al  Al4  1  0.500972  0.500972  0.259152  1
  Al  Al5  1  0.750972  0.250972  0.348208  1
  Al  Al6  1  1.000972  0.500972  0.316442  1
  Al  Al7  1  0.250972  0.750972  0.348208  1
  Al  Al8  1  0.500972  0.000972  0.316442  1
  Al  Al9  1  0.750972  0.750972  0.410776  1
  Al  Al10  1  1.000972  0.000972  0.379575  1
  Al  Al11  1  0.250972  0.250972  0.410776  1
  Al  Al12  1  0.500972  0.500972  0.379575  1
  Al  Al13  1  0.750972  0.250972  0.473312  1
  Al  Al14  1  1.000972  0.500972  0.442042  1
  Al  Al15  1  0.250972  0.750972  0.473312  1
  Al  Al16  1  0.500972  0.000972  0.442042  1
  Al  Al17  1  0.750972  0.750972  0.535840  1
  Al  Al18  1  1.000972  0.000972  0.504575  1
  Al  Al19  1  0.250972  0.250972  0.535840  1
  Al  Al20  1  0.500972  0.500972  0.504575  1
  Al  Al21  1  0.750972  0.250972  0.598358  1
  Al  Al22  1  1.000972  0.500972  0.567110  1
  Al  Al23  1  0.250972  0.750972  0.598358  1
  Al  Al24  1  0.500972  0.000972  0.567110  1
  Al  Al25  1  0.750972  0.750972  0.661164  1
  Al  Al26  1  1.000972  0.000972  0.629593  1
  Al  Al27  1  0.250972  0.250972  0.661164  1
  Al  Al28  1  0.500972  0.500972  0.629593  1
  Al  Al29  1  0.750972  0.250972  0.721074  1
  Al  Al30  1  1.000972  0.500972  0.692210  1
  Al  Al31  1  0.250972  0.750972  0.721074  1
  Al  Al32  1  0.500972  0.000972  0.692210  1
  Fe  Fe33  1  0.625417  0.625417  0.332782  1
  Fe  Fe34  1  0.629108  0.372836  0.301600  1
  Fe  Fe35  1  0.876527  0.876527  0.332782  1
  Fe  Fe36  1  0.872836  0.129108  0.301600  1
  Fe  Fe37  1  0.125417  0.125417  0.332782  1
  Fe  Fe38  1  0.129108  0.872836  0.301600  1
  Fe  Fe39  1  0.376527  0.376527  0.332782  1
  Fe  Fe40  1  0.372836  0.629108  0.301600  1
  Fe  Fe41  1  0.621865  0.121865  0.268050  1
  Fe  Fe42  1  0.625751  0.876194  0.363839  1
  Fe  Fe43  1  0.880079  0.380079  0.268050  1
  Fe  Fe44  1  0.876194  0.625751  0.363839  1
  Fe  Fe45  1  0.121865  0.621865  0.268050  1
  Fe  Fe46  1  0.125751  0.376194  0.363839  1
  Fe  Fe47  1  0.380079  0.880079  0.268050  1
  Fe  Fe48  1  0.376194  0.125751  0.363839  1
  Fe  Fe49  1  0.625976  0.625976  0.457678  1
  Fe  Fe50  1  0.625994  0.375950  0.426418  1
  Fe  Fe51  1  0.875969  0.875969  0.457678  1
  Fe  Fe52  1  0.875950  0.125994  0.426418  1
  Fe  Fe53  1  0.125976  0.125976  0.457678  1
  Fe  Fe54  1  0.125994  0.875950  0.426418  1
  Fe  Fe55  1  0.375969  0.375969  0.457678  1
  Fe  Fe56  1  0.375950  0.625994  0.426418  1
  Fe  Fe57  1  0.625969  0.125969  0.395140  1
  Fe  Fe58  1  0.625971  0.875974  0.488943  1
  Fe  Fe59  1  0.875976  0.375976  0.395140  1
  Fe  Fe60  1  0.875974  0.625971  0.488943  1
  Fe  Fe61  1  0.125969  0.625969  0.395140  1
  Fe  Fe62  1  0.125971  0.375974  0.488943  1
  Fe  Fe63  1  0.375976  0.875976  0.395140  1
  Fe  Fe64  1  0.375974  0.125971  0.488943  1
  Fe  Fe65  1  0.625993  0.625993  0.582734  1
  Fe  Fe66  1  0.625969  0.375975  0.551471  1
  Fe  Fe67  1  0.875951  0.875951  0.582734  1
  Fe  Fe68  1  0.875975  0.125969  0.551471  1
  Fe  Fe69  1  0.125993  0.125993  0.582734  1
  Fe  Fe70  1  0.125969  0.875975  0.551471  1
  Fe  Fe71  1  0.375951  0.375951  0.582734  1
  Fe  Fe72  1  0.375975  0.625969  0.551471  1
  Fe  Fe73  1  0.625970  0.125970  0.520208  1
  Fe  Fe74  1  0.626058  0.875886  0.614024  1
  Fe  Fe75  1  0.875975  0.375975  0.520208  1
  Fe  Fe76  1  0.875886  0.626058  0.614024  1
  Fe  Fe77  1  0.125970  0.625970  0.520208  1
  Fe  Fe78  1  0.126058  0.375886  0.614024  1
  Fe  Fe79  1  0.375975  0.875975  0.520208  1
  Fe  Fe80  1  0.375886  0.126058  0.614024  1
  Fe  Fe81  1  0.628056  0.628056  0.707853  1
  Fe  Fe82  1  0.625080  0.376864  0.676262  1
  Fe  Fe83  1  0.873888  0.873888  0.707853  1
  Fe  Fe84  1  0.876864  0.125080  0.676262  1
  Fe  Fe85  1  0.128056  0.128056  0.707853  1
  Fe  Fe86  1  0.125080  0.876864  0.676262  1
  Fe  Fe87  1  0.373888  0.373888  0.707853  1
  Fe  Fe88  1  0.376864  0.625080  0.676262  1
  Fe  Fe89  1  0.625813  0.125813  0.645257  1
  Fe  Fe90  1  0.621257  0.880688  0.740492  1
  Fe  Fe91  1  0.876132  0.376132  0.645257  1
  Fe  Fe92  1  0.880688  0.621257  0.740492  1
  Fe  Fe93  1  0.125813  0.625813  0.645257  1
  Fe  Fe94  1  0.121257  0.380688  0.740492  1
  Fe  Fe95  1  0.376132  0.876132  0.645257  1
  Fe  Fe96  1  0.380688  0.121257  0.740492  1
