# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31406195
_cell_length_b   19.11437242
_cell_length_c   49.12303163
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al144 Fe24'
_cell_volume   5928.62585559
_cell_formula_units_Z   24
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  0.502109  0.086297  0.381359  1
  Al  Al2  1  0.467405  0.663832  0.310016  1
  Al  Al3  1  0.153802  0.944236  0.326427  1
  Al  Al4  1  0.149562  0.367701  0.398056  1
  Al  Al5  1  0.511417  0.874767  0.344958  1
  Al  Al6  1  0.504549  0.298133  0.416724  1
  Al  Al7  1  0.858077  0.858130  0.312040  1
  Al  Al8  1  0.853448  0.285454  0.383253  1
  Al  Al9  1  0.695374  0.745562  0.345416  1
  Al  Al10  1  0.695664  0.171856  0.417839  1
  Al  Al11  1  0.512377  0.934536  0.295465  1
  Al  Al12  1  0.495178  0.353883  0.364662  1
  Al  Al13  1  0.152659  0.074829  0.348174  1
  Al  Al14  1  0.150051  0.495831  0.419637  1
  Al  Al15  1  0.813846  0.980638  0.363872  1
  Al  Al16  1  0.784264  0.563513  0.296823  1
  Al  Al17  1  0.822227  0.030826  0.311641  1
  Al  Al18  1  0.807580  0.458730  0.381276  1
  Al  Al19  1  0.191436  0.770886  0.329261  1
  Al  Al20  1  0.195546  0.192689  0.400180  1
  Al  Al21  1  0.846584  0.719903  0.294083  1
  Al  Al22  1  0.858331  0.156664  0.363189  1
  Al  Al23  1  0.531087  0.139363  0.329711  1
  Al  Al24  1  0.505739  0.565340  0.400982  1
  Al  Al25  1  0.967405  0.163832  0.310016  1
  Al  Al26  1  1.002109  0.586297  0.381359  1
  Al  Al27  1  0.649562  0.867701  0.398056  1
  Al  Al28  1  0.653802  0.444236  0.326427  1
  Al  Al29  1  0.004549  0.798133  0.416724  1
  Al  Al30  1  0.011417  0.374767  0.344958  1
  Al  Al31  1  0.353448  0.785454  0.383253  1
  Al  Al32  1  0.358077  0.358130  0.312040  1
  Al  Al33  1  0.195664  0.671856  0.417839  1
  Al  Al34  1  0.195374  0.245562  0.345416  1
  Al  Al35  1  0.995178  0.853883  0.364662  1
  Al  Al36  1  0.012377  0.434536  0.295465  1
  Al  Al37  1  0.650051  0.995831  0.419637  1
  Al  Al38  1  0.652659  0.574829  0.348174  1
  Al  Al39  1  0.284264  0.063513  0.296823  1
  Al  Al40  1  0.313846  0.480638  0.363872  1
  Al  Al41  1  0.307580  0.958730  0.381276  1
  Al  Al42  1  0.322227  0.530826  0.311641  1
  Al  Al43  1  0.695546  0.692689  0.400180  1
  Al  Al44  1  0.691436  0.270886  0.329261  1
  Al  Al45  1  0.358331  0.656664  0.363189  1
  Al  Al46  1  0.346584  0.219903  0.294083  1
  Al  Al47  1  0.005739  0.065340  0.400982  1
  Al  Al48  1  0.031087  0.639363  0.329711  1
  Al  Al49  1  0.500185  0.932760  0.524537  1
  Al  Al50  1  0.500341  0.509480  0.452748  1
  Al  Al51  1  0.149885  0.790955  0.469820  1
  Al  Al52  1  0.150332  0.213787  0.541617  1
  Al  Al53  1  0.504057  0.721169  0.488649  1
  Al  Al54  1  0.505341  0.144207  0.560582  1
  Al  Al55  1  0.854380  0.707844  0.455610  1
  Al  Al56  1  0.854827  0.130676  0.527407  1
  Al  Al57  1  0.695420  0.594518  0.489485  1
  Al  Al58  1  0.695489  0.017446  0.561329  1
  Al  Al59  1  0.499371  0.777424  0.436645  1
  Al  Al60  1  0.500656  0.200462  0.508578  1
  Al  Al61  1  0.149999  0.919213  0.491466  1
  Al  Al62  1  0.149428  0.342271  0.563144  1
  Al  Al63  1  0.809292  0.827113  0.507741  1
  Al  Al64  1  0.809223  0.404185  0.435898  1
  Al  Al65  1  0.809383  0.882877  0.453500  1
  Al  Al66  1  0.809293  0.306159  0.525330  1
  Al  Al67  1  0.195420  0.615473  0.471896  1
  Al  Al68  1  0.195329  0.038754  0.543727  1
  Al  Al69  1  0.855285  0.579360  0.434083  1
  Al  Al70  1  0.854713  1.002419  0.505761  1
  Al  Al71  1  0.504528  0.988872  0.472690  1
  Al  Al72  1  0.504371  0.412151  0.544479  1
  Al  Al73  1  1.000341  0.009480  0.452748  1
  Al  Al74  1  1.000185  0.432760  0.524537  1
  Al  Al75  1  0.650332  0.713787  0.541617  1
  Al  Al76  1  0.649885  0.290955  0.469820  1
  Al  Al77  1  0.005341  0.644207  0.560582  1
  Al  Al78  1  0.004057  0.221169  0.488649  1
  Al  Al79  1  0.354827  0.630676  0.527407  1
  Al  Al80  1  0.354380  0.207844  0.455610  1
  Al  Al81  1  0.195489  0.517446  0.561329  1
  Al  Al82  1  0.195420  0.094518  0.489485  1
  Al  Al83  1  1.000656  0.700462  0.508578  1
  Al  Al84  1  0.999371  0.277424  0.436645  1
  Al  Al85  1  0.649428  0.842271  0.563144  1
  Al  Al86  1  0.649999  0.419213  0.491466  1
  Al  Al87  1  0.309223  0.904185  0.435898  1
  Al  Al88  1  0.309292  0.327113  0.507741  1
  Al  Al89  1  0.309293  0.806159  0.525330  1
  Al  Al90  1  0.309383  0.382877  0.453500  1
  Al  Al91  1  0.695329  0.538754  0.543727  1
  Al  Al92  1  0.695420  0.115473  0.471896  1
  Al  Al93  1  0.354713  0.502419  0.505761  1
  Al  Al94  1  0.355285  0.079360  0.434083  1
  Al  Al95  1  0.004371  0.912151  0.544479  1
  Al  Al96  1  0.004528  0.488872  0.472690  1
  Al  Al97  1  0.473625  0.782268  0.667516  1
  Al  Al98  1  0.498973  0.356291  0.596244  1
  Al  Al99  1  0.151264  0.636177  0.613974  1
  Al  Al100  1  0.146635  0.063501  0.685186  1
  Al  Al101  1  0.509534  0.567748  0.632564  1
  Al  Al102  1  0.492335  0.987095  0.701762  1
  Al  Al103  1  0.855150  0.553930  0.599170  1
  Al  Al104  1  0.850910  0.977396  0.670799  1
  Al  Al105  1  0.690866  0.440993  0.633354  1
  Al  Al106  1  0.720448  0.858118  0.700404  1
  Al  Al107  1  0.500164  0.623499  0.580502  1
  Al  Al108  1  0.493295  0.046864  0.652269  1
  Al  Al109  1  0.146382  0.764967  0.634038  1
  Al  Al110  1  0.158128  0.201729  0.703144  1
  Al  Al111  1  0.809338  0.676069  0.651811  1
  Al  Al112  1  0.809048  0.249775  0.579388  1
  Al  Al113  1  0.809166  0.728942  0.597046  1
  Al  Al114  1  0.813277  0.150745  0.667965  1
  Al  Al115  1  0.197133  0.462901  0.615951  1
  Al  Al116  1  0.182485  0.890805  0.685586  1
  Al  Al117  1  0.854662  0.425800  0.577590  1
  Al  Al118  1  0.852053  0.846802  0.649052  1
  Al  Al119  1  0.502603  0.835334  0.615867  1
  Al  Al120  1  0.537307  0.257799  0.687210  1
  Al  Al121  1  0.998973  0.856291  0.596244  1
  Al  Al122  1  0.973625  0.282268  0.667516  1
  Al  Al123  1  0.646635  0.563501  0.685186  1
  Al  Al124  1  0.651264  0.136177  0.613974  1
  Al  Al125  1  0.992335  0.487095  0.701762  1
  Al  Al126  1  0.009534  0.067748  0.632564  1
  Al  Al127  1  0.350910  0.477396  0.670799  1
  Al  Al128  1  0.355150  0.053930  0.599170  1
  Al  Al129  1  0.220448  0.358118  0.700404  1
  Al  Al130  1  0.190866  0.940993  0.633354  1
  Al  Al131  1  0.993295  0.546864  0.652269  1
  Al  Al132  1  1.000164  0.123499  0.580502  1
  Al  Al133  1  0.658128  0.701729  0.703144  1
  Al  Al134  1  0.646382  0.264967  0.634038  1
  Al  Al135  1  0.309048  0.749775  0.579388  1
  Al  Al136  1  0.309338  0.176069  0.651811  1
  Al  Al137  1  0.313277  0.650745  0.667965  1
  Al  Al138  1  0.309166  0.228942  0.597046  1
  Al  Al139  1  0.682485  0.390805  0.685586  1
  Al  Al140  1  0.697133  0.962901  0.615951  1
  Al  Al141  1  0.352053  0.346802  0.649052  1
  Al  Al142  1  0.354662  0.925800  0.577590  1
  Al  Al143  1  0.037307  0.757799  0.687210  1
  Al  Al144  1  0.002603  0.335334  0.615867  1
  Fe  Fe145  1  0.485583  0.009226  0.338353  1
  Fe  Fe146  1  0.484266  0.431639  0.408744  1
  Fe  Fe147  1  0.515999  0.797155  0.302114  1
  Fe  Fe148  1  0.519723  0.219792  0.373058  1
  Fe  Fe149  1  0.984266  0.931639  0.408744  1
  Fe  Fe150  1  0.985583  0.509226  0.338353  1
  Fe  Fe151  1  0.019723  0.719792  0.373058  1
  Fe  Fe152  1  0.015999  0.297155  0.302114  1
  Fe  Fe153  1  0.484301  0.855018  0.480604  1
  Fe  Fe154  1  0.484104  0.278187  0.552423  1
  Fe  Fe155  1  0.520608  0.643444  0.444804  1
  Fe  Fe156  1  0.520411  0.066613  0.516623  1
  Fe  Fe157  1  0.984104  0.778187  0.552423  1
  Fe  Fe158  1  0.984301  0.355018  0.480604  1
  Fe  Fe159  1  0.020411  0.566613  0.516623  1
  Fe  Fe160  1  0.020608  0.143444  0.444804  1
  Fe  Fe161  1  0.484990  0.701839  0.624168  1
  Fe  Fe162  1  0.488714  0.124476  0.695113  1
  Fe  Fe163  1  0.520447  0.489992  0.588483  1
  Fe  Fe164  1  0.519129  0.912406  0.658874  1
  Fe  Fe165  1  0.988714  0.624476  0.695113  1
  Fe  Fe166  1  0.984990  0.201839  0.624168  1
  Fe  Fe167  1  0.019129  0.412406  0.658874  1
  Fe  Fe168  1  0.020447  0.989992  0.588483  1
