# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40291074
_cell_length_b   7.40528760
_cell_length_c   54.16987469
_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   2568.48603273
_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  0.018200  0.249654  0.307940  1
  Al  Al2  1  0.183605  0.449608  0.349738  1
  Al  Al3  1  0.183605  0.049699  0.349738  1
  Al  Al4  1  0.320253  0.553560  0.303060  1
  Al  Al5  1  0.675031  0.445869  0.328109  1
  Al  Al6  1  0.791033  0.952429  0.280960  1
  Al  Al7  1  0.675031  0.053438  0.328109  1
  Al  Al8  1  0.791033  0.546879  0.280960  1
  Al  Al9  1  0.320253  0.945748  0.303060  1
  Al  Al10  1  0.522760  0.249654  0.283336  1
  Al  Al11  1  0.967132  0.749654  0.328102  1
  Al  Al12  1  0.475944  0.749654  0.351875  1
  Al  Al13  1  0.031762  0.249654  0.397081  1
  Al  Al14  1  0.185787  0.445227  0.440883  1
  Al  Al15  1  0.185787  0.054080  0.440883  1
  Al  Al16  1  0.329748  0.553051  0.395420  1
  Al  Al17  1  0.687912  0.444985  0.419207  1
  Al  Al18  1  0.822275  0.946244  0.373325  1
  Al  Al19  1  0.687912  0.054322  0.419207  1
  Al  Al20  1  0.822275  0.553063  0.373325  1
  Al  Al21  1  0.329748  0.946256  0.395420  1
  Al  Al22  1  0.528407  0.249654  0.370982  1
  Al  Al23  1  0.983506  0.749654  0.416694  1
  Al  Al24  1  0.482573  0.749654  0.443291  1
  Al  Al25  1  0.030795  0.249654  0.488906  1
  Al  Al26  1  0.185445  0.445353  0.532145  1
  Al  Al27  1  0.185445  0.053954  0.532145  1
  Al  Al28  1  0.326850  0.553791  0.486539  1
  Al  Al29  1  0.685907  0.445517  0.510446  1
  Al  Al30  1  0.827312  0.945353  0.464841  1
  Al  Al31  1  0.685907  0.053791  0.510446  1
  Al  Al32  1  0.827312  0.553954  0.464841  1
  Al  Al33  1  0.326850  0.945517  0.486539  1
  Al  Al34  1  0.530870  0.249654  0.462486  1
  Al  Al35  1  0.981961  0.749654  0.508080  1
  Al  Al36  1  0.481887  0.749654  0.534500  1
  Al  Al37  1  0.029251  0.249654  0.580292  1
  Al  Al38  1  0.190482  0.446244  0.623660  1
  Al  Al39  1  0.190482  0.053063  0.623660  1
  Al  Al40  1  0.324845  0.554322  0.577779  1
  Al  Al41  1  0.683009  0.446256  0.601566  1
  Al  Al42  1  0.826970  0.945227  0.556102  1
  Al  Al43  1  0.683009  0.053051  0.601566  1
  Al  Al44  1  0.826970  0.554080  0.556102  1
  Al  Al45  1  0.324845  0.944985  0.577779  1
  Al  Al46  1  0.530184  0.249654  0.553694  1
  Al  Al47  1  0.980995  0.749654  0.599905  1
  Al  Al48  1  0.484350  0.749654  0.626004  1
  Al  Al49  1  0.045625  0.249654  0.668883  1
  Al  Al50  1  0.221724  0.452429  0.716025  1
  Al  Al51  1  0.221724  0.046879  0.716025  1
  Al  Al52  1  0.337726  0.553438  0.668877  1
  Al  Al53  1  0.692504  0.445748  0.693926  1
  Al  Al54  1  0.829152  0.949608  0.647248  1
  Al  Al55  1  0.692504  0.053560  0.693926  1
  Al  Al56  1  0.829152  0.549699  0.647248  1
  Al  Al57  1  0.337726  0.945869  0.668877  1
  Al  Al58  1  0.536813  0.249654  0.645111  1
  Al  Al59  1  0.994557  0.749654  0.689045  1
  Al  Al60  1  0.489997  0.749654  0.713650  1
  Ni  Ni61  1  0.886512  0.249654  0.353852  1
  Ni  Ni62  1  0.376792  0.249654  0.323837  1
  Ni  Ni63  1  0.069027  0.749654  0.285372  1
  Ni  Ni64  1  0.623414  0.749654  0.309716  1
  Ni  Ni65  1  0.888129  0.249654  0.446005  1
  Ni  Ni66  1  0.388672  0.249654  0.414221  1
  Ni  Ni67  1  0.121721  0.749654  0.369969  1
  Ni  Ni68  1  0.626551  0.749654  0.400435  1
  Ni  Ni69  1  0.887280  0.249654  0.537221  1
  Ni  Ni70  1  0.387777  0.249654  0.505460  1
  Ni  Ni71  1  0.125477  0.749654  0.459765  1
  Ni  Ni72  1  0.624980  0.749654  0.491526  1
  Ni  Ni73  1  0.891036  0.249654  0.627017  1
  Ni  Ni74  1  0.386205  0.249654  0.596551  1
  Ni  Ni75  1  0.124628  0.749654  0.550981  1
  Ni  Ni76  1  0.624085  0.749654  0.582765  1
  Ni  Ni77  1  0.943730  0.249654  0.711614  1
  Ni  Ni78  1  0.389343  0.249654  0.687269  1
  Ni  Ni79  1  0.126245  0.749654  0.643134  1
  Ni  Ni80  1  0.635965  0.749654  0.673149  1
