# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32462421
_cell_length_b   8.43797320
_cell_length_c   53.77739855
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al60 Ni20'
_cell_volume   2416.16669819
_cell_formula_units_Z   20
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  0.127128  0.251689  0.320312  1
  Al  Al2  1  0.642096  0.510259  0.288140  1
  Al  Al3  1  0.642096  0.993119  0.288140  1
  Al  Al4  1  0.142659  0.531025  0.282204  1
  Al  Al5  1  0.870476  0.492412  0.335913  1
  Al  Al6  1  0.373444  0.994624  0.332173  1
  Al  Al7  1  0.870476  0.010966  0.335913  1
  Al  Al8  1  0.373444  0.508753  0.332173  1
  Al  Al9  1  0.142659  0.972353  0.282204  1
  Al  Al10  1  0.390764  0.251689  0.275098  1
  Al  Al11  1  0.900220  0.751689  0.307869  1
  Al  Al12  1  0.615368  0.751689  0.351882  1
  Al  Al13  1  0.119001  0.251689  0.408370  1
  Al  Al14  1  0.641945  0.493795  0.381834  1
  Al  Al15  1  0.641945  0.009582  0.381834  1
  Al  Al16  1  0.141290  0.510282  0.378132  1
  Al  Al17  1  0.875417  0.493147  0.427323  1
  Al  Al18  1  0.375446  0.993362  0.423690  1
  Al  Al19  1  0.875417  0.010231  0.427323  1
  Al  Al20  1  0.375446  0.510015  0.423690  1
  Al  Al21  1  0.141290  0.993096  0.378132  1
  Al  Al22  1  0.401837  0.251689  0.363186  1
  Al  Al23  1  0.897462  0.751689  0.397126  1
  Al  Al24  1  0.619038  0.751689  0.442579  1
  Al  Al25  1  0.119041  0.251689  0.499343  1
  Al  Al26  1  0.641566  0.493197  0.472792  1
  Al  Al27  1  0.641566  0.010181  0.472792  1
  Al  Al28  1  0.141541  0.510187  0.469135  1
  Al  Al29  1  0.875310  0.493191  0.518254  1
  Al  Al30  1  0.375285  0.993197  0.514597  1
  Al  Al31  1  0.875310  0.010187  0.518254  1
  Al  Al32  1  0.375285  0.510181  0.514597  1
  Al  Al33  1  0.141541  0.993191  0.469135  1
  Al  Al34  1  0.397856  0.251689  0.453874  1
  Al  Al35  1  0.897810  0.751689  0.488046  1
  Al  Al36  1  0.618995  0.751689  0.533515  1
  Al  Al37  1  0.119389  0.251689  0.590263  1
  Al  Al38  1  0.641405  0.493362  0.563698  1
  Al  Al39  1  0.641405  0.010015  0.563698  1
  Al  Al40  1  0.141434  0.510231  0.560066  1
  Al  Al41  1  0.875561  0.493096  0.609256  1
  Al  Al42  1  0.374906  0.993795  0.605554  1
  Al  Al43  1  0.875561  0.010282  0.609256  1
  Al  Al44  1  0.374906  0.509582  0.605554  1
  Al  Al45  1  0.141434  0.993147  0.560066  1
  Al  Al46  1  0.397813  0.251689  0.544809  1
  Al  Al47  1  0.897850  0.751689  0.579019  1
  Al  Al48  1  0.615014  0.751689  0.624203  1
  Al  Al49  1  0.116631  0.251689  0.679520  1
  Al  Al50  1  0.643407  0.494624  0.655216  1
  Al  Al51  1  0.643407  0.008753  0.655216  1
  Al  Al52  1  0.146375  0.510966  0.651475  1
  Al  Al53  1  0.874192  0.472353  0.705185  1
  Al  Al54  1  0.374755  0.010259  0.699249  1
  Al  Al55  1  0.874192  0.031025  0.705185  1
  Al  Al56  1  0.374755  0.493119  0.699249  1
  Al  Al57  1  0.146375  0.992412  0.651475  1
  Al  Al58  1  0.401483  0.251689  0.635506  1
  Al  Al59  1  0.889723  0.751689  0.667076  1
  Al  Al60  1  0.626087  0.751689  0.712290  1
  Ni  Ni61  1  0.625040  0.251689  0.319623  1
  Ni  Ni62  1  0.888524  0.251689  0.282285  1
  Ni  Ni63  1  0.389165  0.751689  0.306948  1
  Ni  Ni64  1  0.131380  0.751689  0.349630  1
  Ni  Ni65  1  0.632237  0.251689  0.410397  1
  Ni  Ni66  1  0.885357  0.251689  0.364892  1
  Ni  Ni67  1  0.383509  0.751689  0.395184  1
  Ni  Ni68  1  0.132157  0.751689  0.440558  1
  Ni  Ni69  1  0.632074  0.251689  0.501358  1
  Ni  Ni70  1  0.884784  0.251689  0.455895  1
  Ni  Ni71  1  0.384777  0.751689  0.486031  1
  Ni  Ni72  1  0.132067  0.751689  0.531494  1
  Ni  Ni73  1  0.633342  0.251689  0.592205  1
  Ni  Ni74  1  0.884694  0.251689  0.546831  1
  Ni  Ni75  1  0.384614  0.751689  0.576991  1
  Ni  Ni76  1  0.131494  0.751689  0.622497  1
  Ni  Ni77  1  0.627686  0.251689  0.680440  1
  Ni  Ni78  1  0.885471  0.251689  0.637758  1
  Ni  Ni79  1  0.391811  0.751689  0.667766  1
  Ni  Ni80  1  0.128327  0.751689  0.705103  1
