# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48746013
_cell_length_b   4.65506780
_cell_length_c   46.38077567
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.20644782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al30 Fe60'
_cell_volume   2235.13381764
_cell_formula_units_Z   30
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  0.130340  0.880460  0.291536  1
  Al  Al2  1  0.477360  0.644076  0.306319  1
  Al  Al3  1  0.776740  0.120354  0.276926  1
  Al  Al4  1  0.154807  0.172373  0.337805  1
  Al  Al5  1  0.494846  0.934310  0.353012  1
  Al  Al6  1  0.815198  0.406714  0.323228  1
  Al  Al7  1  0.176081  0.466584  0.383441  1
  Al  Al8  1  0.515952  0.229429  0.398760  1
  Al  Al9  1  0.835517  0.701766  0.368717  1
  Al  Al10  1  0.197051  0.760424  0.428991  1
  Al  Al11  1  0.536970  0.523684  0.444304  1
  Al  Al12  1  0.856587  0.996227  0.414053  1
  Al  Al13  1  0.217782  0.053601  0.474566  1
  Al  Al14  1  0.557924  0.817484  0.489773  1
  Al  Al15  1  0.877501  0.289564  0.459475  1
  Al  Al16  1  0.238585  0.347023  0.520115  1
  Al  Al17  1  0.578866  0.111061  0.535206  1
  Al  Al18  1  0.898442  0.583141  0.504908  1
  Al  Al19  1  0.259315  0.640201  0.565690  1
  Al  Al20  1  0.599780  0.404397  0.580628  1
  Al  Al21  1  0.919396  0.876940  0.550377  1
  Al  Al22  1  0.280286  0.934040  0.611240  1
  Al  Al23  1  0.620850  0.698858  0.625963  1
  Al  Al24  1  0.940414  0.171195  0.595921  1
  Al  Al25  1  0.301560  0.228252  0.656876  1
  Al  Al26  1  0.641169  0.993911  0.671453  1
  Al  Al27  1  0.961520  0.466315  0.641669  1
  Al  Al28  1  0.326027  0.520165  0.703144  1
  Al  Al29  1  0.679627  0.280271  0.717755  1
  Al  Al30  1  0.979006  0.756549  0.688362  1
  Fe  Fe31  1  0.245325  0.463712  0.296020  1
  Fe  Fe32  1  0.588786  0.218503  0.311513  1
  Fe  Fe33  1  0.899723  0.706264  0.281295  1
  Fe  Fe34  1  0.361744  0.074453  0.305086  1
  Fe  Fe35  1  0.670723  0.575732  0.275545  1
  Fe  Fe36  1  0.014210  0.310995  0.290035  1
  Fe  Fe37  1  0.267213  0.749243  0.341169  1
  Fe  Fe38  1  0.607440  0.510414  0.356590  1
  Fe  Fe39  1  0.927568  0.984999  0.326578  1
  Fe  Fe40  1  0.383401  0.366012  0.349899  1
  Fe  Fe41  1  0.704722  0.835434  0.321690  1
  Fe  Fe42  1  0.042957  0.601373  0.335023  1
  Fe  Fe43  1  0.288720  0.041892  0.386383  1
  Fe  Fe44  1  0.628457  0.804448  0.401880  1
  Fe  Fe45  1  0.948397  0.278027  0.371526  1
  Fe  Fe46  1  0.403733  0.656704  0.395792  1
  Fe  Fe47  1  0.723053  0.129263  0.366111  1
  Fe  Fe48  1  0.063844  0.893464  0.380697  1
  Fe  Fe49  1  0.309316  0.334024  0.431966  1
  Fe  Fe50  1  0.649437  0.098169  0.447263  1
  Fe  Fe51  1  0.969077  0.570478  0.416900  1
  Fe  Fe52  1  0.424632  0.950089  0.441372  1
  Fe  Fe53  1  0.743982  0.421904  0.411310  1
  Fe  Fe54  1  0.084670  0.186773  0.426169  1
  Fe  Fe55  1  0.330116  0.627264  0.477502  1
  Fe  Fe56  1  0.670407  0.391831  0.492660  1
  Fe  Fe57  1  0.989961  0.863687  0.462326  1
  Fe  Fe58  1  0.445511  0.243539  0.486885  1
  Fe  Fe59  1  0.765017  0.715340  0.456626  1
  Fe  Fe60  1  0.105472  0.480078  0.471655  1
  Fe  Fe61  1  0.350894  0.920546  0.523025  1
  Fe  Fe62  1  0.691349  0.685285  0.538055  1
  Fe  Fe63  1  0.010856  0.157086  0.507796  1
  Fe  Fe64  1  0.466406  0.536938  0.532354  1
  Fe  Fe65  1  0.785960  0.008794  0.502020  1
  Fe  Fe66  1  0.126251  0.773360  0.517178  1
  Fe  Fe67  1  0.371697  0.213852  0.568511  1
  Fe  Fe68  1  0.712384  0.978721  0.583370  1
  Fe  Fe69  1  0.031735  0.450535  0.553308  1
  Fe  Fe70  1  0.487289  0.830146  0.577780  1
  Fe  Fe71  1  0.806929  0.302456  0.547418  1
  Fe  Fe72  1  0.147051  0.066601  0.562715  1
  Fe  Fe73  1  0.392523  0.507160  0.613983  1
  Fe  Fe74  1  0.733313  0.271361  0.628569  1
  Fe  Fe75  1  0.052633  0.743920  0.598889  1
  Fe  Fe76  1  0.507970  0.122598  0.623154  1
  Fe  Fe77  1  0.827910  0.596177  0.592801  1
  Fe  Fe78  1  0.167647  0.358732  0.608297  1
  Fe  Fe79  1  0.413409  0.799251  0.659657  1
  Fe  Fe80  1  0.751645  0.565190  0.672990  1
  Fe  Fe81  1  0.072966  0.034613  0.644782  1
  Fe  Fe82  1  0.528799  0.415626  0.668103  1
  Fe  Fe83  1  0.848927  0.890211  0.638090  1
  Fe  Fe84  1  0.189153  0.651382  0.653512  1
  Fe  Fe85  1  0.442157  0.089630  0.704646  1
  Fe  Fe86  1  0.785644  0.824893  0.719135  1
  Fe  Fe87  1  0.094623  0.326172  0.689594  1
  Fe  Fe88  1  0.556644  0.694361  0.713386  1
  Fe  Fe89  1  0.867581  0.182122  0.683167  1
  Fe  Fe90  1  0.211041  0.936913  0.698661  1
