# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31441262
_cell_length_b   6.30719992
_cell_length_c   46.35732120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al36 Ni36'
_cell_volume   1808.9372556
_cell_formula_units_Z   36
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  0.552148  0.554393  0.284377  1
  Al  Al2  1  0.052148  0.054393  0.284377  1
  Al  Al3  1  0.958733  0.460973  0.310404  1
  Al  Al4  1  0.458733  0.960973  0.310404  1
  Al  Al5  1  0.381191  0.383253  0.337067  1
  Al  Al6  1  0.881191  0.883253  0.337067  1
  Al  Al7  1  0.795381  0.297275  0.361158  1
  Al  Al8  1  0.295381  0.797275  0.361158  1
  Al  Al9  1  0.211834  0.213563  0.386141  1
  Al  Al10  1  0.711834  0.713563  0.386141  1
  Al  Al11  1  0.627481  0.129028  0.411159  1
  Al  Al12  1  0.127481  0.629028  0.411159  1
  Al  Al13  1  0.044343  0.045736  0.436356  1
  Al  Al14  1  0.544343  0.545736  0.436356  1
  Al  Al15  1  0.460118  0.961340  0.461240  1
  Al  Al16  1  0.960118  0.461340  0.461240  1
  Al  Al17  1  0.876347  0.877407  0.486289  1
  Al  Al18  1  0.376347  0.377407  0.486289  1
  Al  Al19  1  0.292385  0.793275  0.511314  1
  Al  Al20  1  0.792385  0.293275  0.511314  1
  Al  Al21  1  0.708615  0.709342  0.536363  1
  Al  Al22  1  0.208615  0.209342  0.536363  1
  Al  Al23  1  0.124389  0.624946  0.561247  1
  Al  Al24  1  0.624389  0.124946  0.561247  1
  Al  Al25  1  0.541252  0.541653  0.586444  1
  Al  Al26  1  0.041252  0.041653  0.586444  1
  Al  Al27  1  0.956899  0.457118  0.611462  1
  Al  Al28  1  0.456899  0.957118  0.611462  1
  Al  Al29  1  0.373351  0.373406  0.636445  1
  Al  Al30  1  0.873351  0.873406  0.636445  1
  Al  Al31  1  0.787542  0.287428  0.660536  1
  Al  Al32  1  0.287542  0.787428  0.660536  1
  Al  Al33  1  0.209999  0.209708  0.687199  1
  Al  Al34  1  0.709999  0.709708  0.687199  1
  Al  Al35  1  0.616585  0.116288  0.713226  1
  Al  Al36  1  0.116585  0.616288  0.713226  1
  Ni  Ni37  1  0.805019  0.807419  0.287891  1
  Ni  Ni38  1  0.305019  0.307419  0.287891  1
  Ni  Ni39  1  0.208626  0.710861  0.311205  1
  Ni  Ni40  1  0.708626  0.210861  0.311205  1
  Ni  Ni41  1  0.629947  0.632002  0.336070  1
  Ni  Ni42  1  0.129947  0.132002  0.336070  1
  Ni  Ni43  1  0.044320  0.546220  0.360945  1
  Ni  Ni44  1  0.544320  0.046220  0.360945  1
  Ni  Ni45  1  0.462292  0.464000  0.386538  1
  Ni  Ni46  1  0.962292  0.964000  0.386538  1
  Ni  Ni47  1  0.877580  0.379146  0.411196  1
  Ni  Ni48  1  0.377580  0.879146  0.411196  1
  Ni  Ni49  1  0.294254  0.295639  0.436221  1
  Ni  Ni50  1  0.794254  0.795639  0.436221  1
  Ni  Ni51  1  0.710056  0.211283  0.461259  1
  Ni  Ni52  1  0.210056  0.711283  0.461259  1
  Ni  Ni53  1  0.126411  0.127465  0.486337  1
  Ni  Ni54  1  0.626411  0.627465  0.486337  1
  Ni  Ni55  1  0.542321  0.043216  0.511266  1
  Ni  Ni56  1  0.042321  0.543216  0.511266  1
  Ni  Ni57  1  0.958676  0.959399  0.536344  1
  Ni  Ni58  1  0.458676  0.459399  0.536344  1
  Ni  Ni59  1  0.374478  0.875043  0.561382  1
  Ni  Ni60  1  0.874478  0.375043  0.561382  1
  Ni  Ni61  1  0.791153  0.791536  0.586407  1
  Ni  Ni62  1  0.291153  0.291536  0.586407  1
  Ni  Ni63  1  0.206441  0.706681  0.611065  1
  Ni  Ni64  1  0.706441  0.206681  0.611065  1
  Ni  Ni65  1  0.624413  0.624461  0.636658  1
  Ni  Ni66  1  0.124413  0.124461  0.636658  1
  Ni  Ni67  1  0.038785  0.538680  0.661533  1
  Ni  Ni68  1  0.538785  0.038680  0.661533  1
  Ni  Ni69  1  0.460107  0.459820  0.686398  1
  Ni  Ni70  1  0.960107  0.959820  0.686398  1
  Ni  Ni71  1  0.863713  0.363263  0.709712  1
  Ni  Ni72  1  0.363713  0.863263  0.709712  1
