# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31104555
_cell_length_b   6.31083949
_cell_length_c   46.36052794
_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   1809.14109477
_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  0.803063  0.803459  0.284362  1
  Al  Al2  1  0.303063  0.303459  0.284362  1
  Al  Al3  1  0.209646  0.710042  0.310385  1
  Al  Al4  1  0.709646  0.210042  0.310385  1
  Al  Al5  1  0.632023  0.632414  0.337047  1
  Al  Al6  1  0.132023  0.132414  0.337047  1
  Al  Al7  1  0.046133  0.546519  0.361136  1
  Al  Al8  1  0.546133  0.046519  0.361136  1
  Al  Al9  1  0.462510  0.462892  0.386117  1
  Al  Al10  1  0.962510  0.962892  0.386117  1
  Al  Al11  1  0.878072  0.378448  0.411132  1
  Al  Al12  1  0.378072  0.878448  0.411132  1
  Al  Al13  1  0.294863  0.295235  0.436327  1
  Al  Al14  1  0.794863  0.795235  0.436327  1
  Al  Al15  1  0.710558  0.210925  0.461208  1
  Al  Al16  1  0.210558  0.710925  0.461208  1
  Al  Al17  1  0.126712  0.127074  0.486256  1
  Al  Al18  1  0.626712  0.627074  0.486256  1
  Al  Al19  1  0.542671  0.043028  0.511278  1
  Al  Al20  1  0.042671  0.543028  0.511278  1
  Al  Al21  1  0.958825  0.959178  0.536326  1
  Al  Al22  1  0.458825  0.459178  0.536326  1
  Al  Al23  1  0.374520  0.874868  0.561207  1
  Al  Al24  1  0.874520  0.374868  0.561207  1
  Al  Al25  1  0.791311  0.791654  0.586402  1
  Al  Al26  1  0.291311  0.291654  0.586402  1
  Al  Al27  1  0.206872  0.707211  0.611417  1
  Al  Al28  1  0.706872  0.207211  0.611417  1
  Al  Al29  1  0.623250  0.623583  0.636398  1
  Al  Al30  1  0.123250  0.123583  0.636398  1
  Al  Al31  1  0.037360  0.537688  0.660487  1
  Al  Al32  1  0.537360  0.037688  0.660487  1
  Al  Al33  1  0.459737  0.460060  0.687149  1
  Al  Al34  1  0.959737  0.960060  0.687149  1
  Al  Al35  1  0.866320  0.366644  0.713172  1
  Al  Al36  1  0.366320  0.866644  0.713172  1
  Ni  Ni37  1  0.556009  0.556410  0.287876  1
  Ni  Ni38  1  0.056009  0.056410  0.287876  1
  Ni  Ni39  1  0.959535  0.459931  0.311187  1
  Ni  Ni40  1  0.459535  0.959931  0.311187  1
  Ni  Ni41  1  0.380775  0.381166  0.336050  1
  Ni  Ni42  1  0.880775  0.881166  0.336050  1
  Ni  Ni43  1  0.795074  0.295460  0.360923  1
  Ni  Ni44  1  0.295074  0.795460  0.360923  1
  Ni  Ni45  1  0.212958  0.213339  0.386513  1
  Ni  Ni46  1  0.712958  0.713339  0.386513  1
  Ni  Ni47  1  0.628179  0.128556  0.411169  1
  Ni  Ni48  1  0.128179  0.628556  0.411169  1
  Ni  Ni49  1  0.044770  0.045142  0.436192  1
  Ni  Ni50  1  0.544770  0.545142  0.436192  1
  Ni  Ni51  1  0.460498  0.960865  0.461228  1
  Ni  Ni52  1  0.960498  0.460865  0.461228  1
  Ni  Ni53  1  0.876773  0.877135  0.486303  1
  Ni  Ni54  1  0.376773  0.377135  0.486303  1
  Ni  Ni55  1  0.292609  0.792967  0.511230  1
  Ni  Ni56  1  0.792609  0.292967  0.511230  1
  Ni  Ni57  1  0.708884  0.709237  0.536306  1
  Ni  Ni58  1  0.208884  0.209237  0.536306  1
  Ni  Ni59  1  0.124613  0.624961  0.561342  1
  Ni  Ni60  1  0.624613  0.124961  0.561342  1
  Ni  Ni61  1  0.541203  0.541546  0.586365  1
  Ni  Ni62  1  0.041203  0.041546  0.586365  1
  Ni  Ni63  1  0.956424  0.456763  0.611021  1
  Ni  Ni64  1  0.456424  0.956763  0.611021  1
  Ni  Ni65  1  0.374309  0.374642  0.636611  1
  Ni  Ni66  1  0.874309  0.874642  0.636611  1
  Ni  Ni67  1  0.788607  0.288936  0.661484  1
  Ni  Ni68  1  0.288607  0.788936  0.661484  1
  Ni  Ni69  1  0.209847  0.210171  0.686347  1
  Ni  Ni70  1  0.709847  0.710171  0.686347  1
  Ni  Ni71  1  0.613373  0.113693  0.709658  1
  Ni  Ni72  1  0.113373  0.613693  0.709658  1
