# generated using pymatgen
data_Al53Fe17Si12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78299217
_cell_length_b   8.79077691
_cell_length_c   16.86146308
_cell_angle_alpha   99.88853358
_cell_angle_beta   100.21800607
_cell_angle_gamma   109.20076760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al53Fe17Si12
_chemical_formula_sum   'Al53 Fe17 Si12'
_cell_volume   1172.28319332
_cell_formula_units_Z   1
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  Al0  1  0.42188600  0.38582600  0.80810800  1
  Al  Al1  1  0.92188400  0.38622300  0.30662500  1
  Al  Al2  1  0.07811600  0.61377700  0.69337500  1
  Al  Al3  1  0.57811400  0.61417400  0.19189200  1
  Al  Al4  1  0.80222300  0.70468200  0.89607000  1
  Al  Al5  1  0.28735500  0.68770500  0.38834200  1
  Al  Al6  1  0.24956200  0.20974400  0.95313400  1
  Al  Al7  1  0.75897400  0.22067800  0.44964200  1
  Al  Al8  1  0.43554500  0.10104400  0.65709600  1
  Al  Al9  1  0.93926700  0.09346500  0.14664300  1
  Al  Al10  1  0.71264500  0.31229500  0.61165800  1
  Al  Al11  1  0.19777700  0.29531800  0.10393000  1
  Al  Al12  1  0.24102600  0.77932200  0.55035800  1
  Al  Al13  1  0.75043800  0.79025600  0.04686600  1
  Al  Al14  1  0.06073300  0.90653500  0.85335700  1
  Al  Al15  1  0.56445500  0.89895600  0.34290400  1
  Al  Al16  1  0.19805700  0.46031900  0.87794400  1
  Al  Al17  1  0.69647300  0.46030600  0.37462100  1
  Al  Al18  1  0.19955400  0.24958700  0.66243700  1
  Al  Al19  1  0.70197200  0.24786900  0.15975100  1
  Al  Al20  1  0.52430000  0.67985100  0.77236100  1
  Al  Al21  1  0.02112200  0.67688900  0.26678700  1
  Al  Al22  1  0.30352700  0.53969400  0.62537900  1
  Al  Al23  1  0.80194300  0.53968100  0.12205600  1
  Al  Al24  1  0.29802800  0.75213100  0.84024900  1
  Al  Al25  1  0.80044600  0.75041300  0.33756300  1
  Al  Al26  1  0.97887800  0.32311100  0.73321300  1
  Al  Al27  1  0.47570000  0.32014900  0.22763900  1
  Al  Al28  1  0.82737900  0.06275300  0.58252700  1
  Al  Al29  1  0.30894400  0.05667700  0.07424800  1
  Al  Al30  1  0.56326800  0.83928200  0.62510900  1
  Al  Al31  1  0.05827500  0.84735700  0.11580000  1
  Al  Al32  1  0.12156800  0.76422900  0.97117900  1
  Al  Al33  1  0.63159000  0.75613800  0.46920000  1
  Al  Al34  1  0.69105600  0.94332300  0.92575200  1
  Al  Al35  1  0.17262100  0.93724700  0.41747300  1
  Al  Al36  1  0.94172500  0.15264300  0.88420000  1
  Al  Al37  1  0.43673200  0.16071800  0.37489100  1
  Al  Al38  1  0.36841000  0.24386200  0.53080000  1
  Al  Al39  1  0.87843200  0.23577100  0.02882100  1
  Al  Al40  1  0.50000000  0.00000000  0.50000000  1
  Al  Al41  1  0.70960300  0.35900300  0.78107100  1
  Al  Al42  1  0.20801600  0.35190800  0.27715500  1
  Al  Al43  1  0.60929600  0.44259600  0.96459900  1
  Al  Al44  1  0.11031500  0.44111200  0.46508400  1
  Al  Al45  1  0.37956900  0.07010500  0.82417000  1
  Al  Al46  1  0.88216800  0.07155300  0.32003000  1
  Al  Al47  1  0.79198400  0.64809200  0.72284500  1
  Al  Al48  1  0.29039700  0.64099700  0.21892900  1
  Al  Al49  1  0.88968500  0.55888800  0.53491600  1
  Al  Al50  1  0.39070400  0.55740400  0.03540100  1
  Al  Al51  1  0.11783200  0.92844700  0.67997000  1
  Al  Al52  1  0.62043100  0.92989500  0.17583000  1
  Fe  Fe53  1  0.68895400  0.20744600  0.89628800  1
  Fe  Fe54  1  0.19030400  0.20651400  0.39732700  1
  Fe  Fe55  1  0.80969600  0.79348600  0.60267300  1
  Fe  Fe56  1  0.31104600  0.79255400  0.10371200  1
  Fe  Fe57  1  0.99290900  0.59419300  0.82902000  1
  Fe  Fe58  1  0.49261500  0.59555600  0.32999300  1
  Fe  Fe59  1  0.98746500  0.34100200  0.58072700  1
  Fe  Fe60  1  0.48698400  0.34143000  0.08157200  1
  Fe  Fe61  1  0.36052100  0.83714700  0.70271700  1
  Fe  Fe62  1  0.86249300  0.83695300  0.20349400  1
  Fe  Fe63  1  0.50738500  0.40444400  0.67000700  1
  Fe  Fe64  1  0.00709100  0.40580700  0.17098000  1
  Fe  Fe65  1  0.51301600  0.65857000  0.91842800  1
  Fe  Fe66  1  0.01253500  0.65899800  0.41927300  1
  Fe  Fe67  1  0.13750700  0.16304700  0.79650600  1
  Fe  Fe68  1  0.63947900  0.16285300  0.29728300  1
  Fe  Fe69  1  0.00000000  0.00000000  0.00000000  1
  Si  Si70  1  0.90920700  0.45321800  0.92898900  1
  Si  Si71  1  0.40709600  0.45485200  0.42910100  1
  Si  Si72  1  0.53889900  0.14414500  0.99069600  1
  Si  Si73  1  0.03424500  0.14057600  0.48909000  1
  Si  Si74  1  0.63060000  0.01898600  0.77562100  1
  Si  Si75  1  0.13210300  0.02224000  0.27087800  1
  Si  Si76  1  0.59290400  0.54514800  0.57089900  1
  Si  Si77  1  0.09079300  0.54678200  0.07101100  1
  Si  Si78  1  0.96575500  0.85942400  0.51091000  1
  Si  Si79  1  0.46110100  0.85585500  0.00930400  1
  Si  Si80  1  0.86789700  0.97776000  0.72912200  1
  Si  Si81  1  0.36940000  0.98101400  0.22437900  1
