# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97746157
_cell_length_b   10.68864625
_cell_length_c   49.61349056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.76186441
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al42 Ni28'
_cell_volume   2072.15399904
_cell_formula_units_Z   14
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  0.792801  0.627169  0.268897  1
  Al  Al2  1  0.993643  0.029227  0.297264  1
  Al  Al3  1  0.381337  0.804245  0.311110  1
  Al  Al4  1  0.165079  0.371965  0.274510  1
  Al  Al5  1  0.802293  0.646316  0.324202  1
  Al  Al6  1  0.579292  0.200378  0.287895  1
  Al  Al7  1  0.198771  0.439246  0.331992  1
  Al  Al8  1  0.428037  0.897586  0.365474  1
  Al  Al9  1  0.832607  0.706726  0.375735  1
  Al  Al10  1  0.609420  0.260581  0.341765  1
  Al  Al11  1  0.248605  0.538728  0.388779  1
  Al  Al12  1  0.026020  0.093733  0.355773  1
  Al  Al13  1  0.652210  0.345940  0.399378  1
  Al  Al14  1  0.875186  0.791720  0.432511  1
  Al  Al15  1  0.278368  0.598018  0.442659  1
  Al  Al16  1  0.054751  0.150874  0.409647  1
  Al  Al17  1  0.694970  0.431273  0.455871  1
  Al  Al18  1  0.471664  0.984722  0.422344  1
  Al  Al19  1  0.098341  0.237909  0.466045  1
  Al  Al20  1  0.321162  0.683438  0.499418  1
  Al  Al21  1  0.724613  0.490256  0.509603  1
  Al  Al22  1  0.501351  0.043871  0.476158  1
  Al  Al23  1  0.141247  0.323563  0.522699  1
  Al  Al24  1  0.917961  0.877115  0.489239  1
  Al  Al25  1  0.544505  0.130030  0.532744  1
  Al  Al26  1  0.767467  0.575794  0.566389  1
  Al  Al27  1  0.170979  0.382787  0.576641  1
  Al  Al28  1  0.947647  0.936212  0.542849  1
  Al  Al29  1  0.587997  0.216878  0.589086  1
  Al  Al30  1  0.364211  0.769369  0.556101  1
  Al  Al31  1  0.989582  0.019912  0.599288  1
  Al  Al32  1  0.216776  0.474243  0.633730  1
  Al  Al33  1  0.616901  0.274242  0.642717  1
  Al  Al34  1  0.393737  0.828235  0.609861  1
  Al  Al35  1  0.033474  0.107488  0.655997  1
  Al  Al36  1  0.809510  0.659703  0.623704  1
  Al  Al37  1  0.440522  0.921652  0.665918  1
  Al  Al38  1  0.644372  0.328965  0.700545  1
  Al  Al39  1  0.062094  0.164623  0.710279  1
  Al  Al40  1  0.840258  0.720996  0.676331  1
  Al  Al41  1  0.479067  0.998677  0.721892  1
  Al  Al42  1  0.261288  0.563216  0.689018  1
  Ni  Ni43  1  0.271949  0.585617  0.295365  1
  Ni  Ni44  1  0.497828  0.037451  0.326499  1
  Ni  Ni45  1  0.456832  0.955902  0.275571  1
  Ni  Ni46  1  0.694656  0.431091  0.303044  1
  Ni  Ni47  1  0.720834  0.483234  0.359772  1
  Ni  Ni48  1  0.944802  0.931021  0.393065  1
  Ni  Ni49  1  0.917068  0.875693  0.336851  1
  Ni  Ni50  1  0.135083  0.311827  0.372320  1
  Ni  Ni51  1  0.167894  0.377191  0.426721  1
  Ni  Ni52  1  0.390912  0.823068  0.460063  1
  Ni  Ni53  1  0.359002  0.759460  0.405032  1
  Ni  Ni54  1  0.582176  0.205681  0.438589  1
  Ni  Ni55  1  0.614186  0.269493  0.493492  1
  Ni  Ni56  1  0.837090  0.715184  0.526958  1
  Ni  Ni57  1  0.805427  0.652078  0.471870  1
  Ni  Ni58  1  0.028511  0.098144  0.505283  1
  Ni  Ni59  1  0.060396  0.161714  0.560263  1
  Ni  Ni60  1  0.283762  0.608263  0.593787  1
  Ni  Ni61  1  0.251589  0.544151  0.538837  1
  Ni  Ni62  1  0.474765  0.990385  0.571960  1
  Ni  Ni63  1  0.507251  0.055125  0.626321  1
  Ni  Ni64  1  0.725628  0.491885  0.662542  1
  Ni  Ni65  1  0.698023  0.436847  0.605917  1
  Ni  Ni66  1  0.920594  0.881911  0.638907  1
  Ni  Ni67  1  0.949973  0.940479  0.693737  1
  Ni  Ni68  1  0.179970  0.399871  0.722469  1
  Ni  Ni69  1  0.145012  0.330365  0.671741  1
  Ni  Ni70  1  0.371661  0.783756  0.704231  1
