# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92683359
_cell_length_b   11.59840777
_cell_length_c   47.45710977
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.17216090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al27 Fe54'
_cell_volume   2129.7159984
_cell_formula_units_Z   27
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  0.368872  0.269517  0.287630  1
  Al  Al2  1  0.014083  0.978370  0.320084  1
  Al  Al3  1  0.692768  0.621013  0.304195  1
  Al  Al4  1  0.330011  0.347443  0.337119  1
  Al  Al5  1  0.966015  0.075534  0.368337  1
  Al  Al6  1  0.647690  0.711889  0.352854  1
  Al  Al7  1  0.282822  0.442033  0.384863  1
  Al  Al8  1  0.918412  0.171172  0.416262  1
  Al  Al9  1  0.600317  0.807017  0.400525  1
  Al  Al10  1  0.235619  0.536815  0.432483  1
  Al  Al11  1  0.871058  0.266253  0.464012  1
  Al  Al12  1  0.553256  0.901656  0.448219  1
  Al  Al13  1  0.188399  0.631645  0.480100  1
  Al  Al14  1  0.823800  0.361174  0.511671  1
  Al  Al15  1  0.506099  0.996410  0.495885  1
  Al  Al16  1  0.141141  0.726566  0.527758  1
  Al  Al17  1  0.776580  0.456004  0.559288  1
  Al  Al18  1  0.458943  0.091164  0.543551  1
  Al  Al19  1  0.093787  0.821647  0.575508  1
  Al  Al20  1  0.729377  0.550786  0.606908  1
  Al  Al21  1  0.411882  0.185802  0.591246  1
  Al  Al22  1  0.046184  0.917285  0.623433  1
  Al  Al23  1  0.682188  0.645376  0.654652  1
  Al  Al24  1  0.364509  0.280930  0.638917  1
  Al  Al25  1  0.998115  0.014449  0.671686  1
  Al  Al26  1  0.643327  0.723303  0.704141  1
  Al  Al27  1  0.319430  0.371806  0.687576  1
  Fe  Fe28  1  0.476257  0.053617  0.293553  1
  Fe  Fe29  1  0.121658  0.763801  0.324503  1
  Fe  Fe30  1  0.801810  0.403660  0.308905  1
  Fe  Fe31  1  0.904622  0.198036  0.317635  1
  Fe  Fe32  1  0.581759  0.843392  0.302572  1
  Fe  Fe33  1  0.257811  0.491426  0.287296  1
  Fe  Fe34  1  0.437134  0.133271  0.340869  1
  Fe  Fe35  1  0.073523  0.860383  0.371757  1
  Fe  Fe36  1  0.755877  0.495692  0.356364  1
  Fe  Fe37  1  0.857398  0.292795  0.365678  1
  Fe  Fe38  1  0.538646  0.929670  0.349781  1
  Fe  Fe39  1  0.221747  0.563493  0.335343  1
  Fe  Fe40  1  0.390863  0.226161  0.387928  1
  Fe  Fe41  1  0.026365  0.955273  0.419421  1
  Fe  Fe42  1  0.708610  0.590630  0.403820  1
  Fe  Fe43  1  0.810003  0.387857  0.413500  1
  Fe  Fe44  1  0.492180  0.023325  0.397472  1
  Fe  Fe45  1  0.174278  0.658922  0.382025  1
  Fe  Fe46  1  0.343884  0.320441  0.435426  1
  Fe  Fe47  1  0.979183  0.050085  0.467098  1
  Fe  Fe48  1  0.661431  0.685386  0.451367  1
  Fe  Fe49  1  0.762718  0.482802  0.461145  1
  Fe  Fe50  1  0.445112  0.117908  0.445142  1
  Fe  Fe51  1  0.127278  0.753321  0.429436  1
  Fe  Fe52  1  0.296714  0.415165  0.483017  1
  Fe  Fe53  1  0.932007  0.144862  0.514746  1
  Fe  Fe54  1  0.614260  0.780158  0.498979  1
  Fe  Fe55  1  0.715485  0.577654  0.508754  1
  Fe  Fe56  1  0.397938  0.212661  0.492792  1
  Fe  Fe57  1  0.080191  0.847957  0.477025  1
  Fe  Fe58  1  0.249481  0.510017  0.530626  1
  Fe  Fe59  1  0.884921  0.239498  0.562335  1
  Fe  Fe60  1  0.567086  0.874911  0.546628  1
  Fe  Fe61  1  0.668315  0.672378  0.556344  1
  Fe  Fe62  1  0.350767  0.307434  0.540404  1
  Fe  Fe63  1  0.033015  0.942735  0.524673  1
  Fe  Fe64  1  0.202195  0.604962  0.578270  1
  Fe  Fe65  1  0.837920  0.333897  0.609746  1
  Fe  Fe66  1  0.520019  0.969494  0.594299  1
  Fe  Fe67  1  0.621335  0.766658  0.603842  1
  Fe  Fe68  1  0.303589  0.402189  0.587951  1
  Fe  Fe69  1  0.985833  0.037547  0.572350  1
  Fe  Fe70  1  0.154801  0.700024  0.626092  1
  Fe  Fe71  1  0.790451  0.429326  0.656428  1
  Fe  Fe72  1  0.473552  0.063149  0.641989  1
  Fe  Fe73  1  0.575064  0.859549  0.650902  1
  Fe  Fe74  1  0.256321  0.497127  0.635407  1
  Fe  Fe75  1  0.938676  0.132436  0.620014  1
  Fe  Fe76  1  0.107576  0.794783  0.674136  1
  Fe  Fe77  1  0.754387  0.501393  0.704475  1
  Fe  Fe78  1  0.430439  0.149428  0.689199  1
  Fe  Fe79  1  0.535942  0.939202  0.698218  1
  Fe  Fe80  1  0.210388  0.589159  0.682866  1
  Fe  Fe81  1  0.890540  0.229018  0.667268  1
