# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94978182
_cell_length_b   11.60992502
_cell_length_c   48.87640402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.86585573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al45 Ni30'
_cell_volume   2208.16381031
_cell_formula_units_Z   15
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  0.689953  0.372230  0.346794  1
  Al  Al2  1  0.964476  0.920443  0.283941  1
  Al  Al3  1  0.327097  0.646297  0.317675  1
  Al  Al4  1  0.113575  0.218538  0.325258  1
  Al  Al5  1  0.476895  0.945442  0.355000  1
  Al  Al6  1  0.750395  0.493269  0.294358  1
  Al  Al7  1  0.538694  0.068574  0.307000  1
  Al  Al8  1  0.904389  0.800896  0.338034  1
  Al  Al9  1  0.175593  0.345191  0.276799  1
  Al  Al10  1  0.780760  0.553978  0.437482  1
  Al  Al11  1  0.053476  0.099025  0.376653  1
  Al  Al12  1  0.417314  0.826886  0.407198  1
  Al  Al13  1  0.203819  0.399732  0.415801  1
  Al  Al14  1  0.567488  0.127093  0.445992  1
  Al  Al15  1  0.840628  0.673251  0.385402  1
  Al  Al16  1  0.630210  0.253098  0.398611  1
  Al  Al17  1  0.994186  0.980997  0.428919  1
  Al  Al18  1  0.266712  0.526081  0.368654  1
  Al  Al19  1  0.871484  0.735720  0.528383  1
  Al  Al20  1  0.144352  0.281266  0.467811  1
  Al  Al21  1  0.507918  0.008493  0.498097  1
  Al  Al22  1  0.294650  0.581667  0.506636  1
  Al  Al23  1  0.658158  0.308824  0.536889  1
  Al  Al24  1  0.931138  0.854528  0.476326  1
  Al  Al25  1  0.721186  0.435318  0.489559  1
  Al  Al26  1  0.084698  0.162457  0.519868  1
  Al  Al27  1  0.357678  0.708161  0.459305  1
  Al  Al28  1  0.962360  0.917961  0.619542  1
  Al  Al29  1  0.235076  0.463007  0.558712  1
  Al  Al30  1  0.598521  0.190099  0.588996  1
  Al  Al31  1  0.385626  0.763887  0.597583  1
  Al  Al32  1  0.749123  0.490904  0.627541  1
  Al  Al33  1  0.021650  0.035988  0.567275  1
  Al  Al34  1  0.812017  0.617253  0.580393  1
  Al  Al35  1  0.175208  0.343734  0.610792  1
  Al  Al36  1  0.448348  0.889892  0.550202  1
  Al  Al37  1  0.051360  0.096542  0.712254  1
  Al  Al38  1  0.325883  0.644755  0.649400  1
  Al  Al39  1  0.688739  0.370688  0.678519  1
  Al  Al40  1  0.477142  0.948411  0.689195  1
  Al  Al41  1  0.840243  0.671794  0.719396  1
  Al  Al42  1  0.111447  0.216089  0.658160  1
  Al  Al43  1  0.902261  0.798447  0.670937  1
  Al  Al44  1  0.265441  0.523717  0.701836  1
  Al  Al45  1  0.538941  0.071543  0.641195  1
  Ni  Ni46  1  0.071366  0.133119  0.279684  1
  Ni  Ni47  1  0.430256  0.852201  0.309445  1
  Ni  Ni48  1  0.794246  0.580807  0.340608  1
  Ni  Ni49  1  0.585138  0.162154  0.352742  1
  Ni  Ni50  1  0.859229  0.710320  0.292736  1
  Ni  Ni51  1  0.221750  0.435881  0.323180  1
  Ni  Ni52  1  0.158026  0.308446  0.370634  1
  Ni  Ni53  1  0.521847  0.035933  0.400669  1
  Ni  Ni54  1  0.885440  0.763312  0.431088  1
  Ni  Ni55  1  0.676129  0.344684  0.443920  1
  Ni  Ni56  1  0.949136  0.890335  0.383324  1
  Ni  Ni57  1  0.312720  0.617753  0.413700  1
  Ni  Ni58  1  0.248957  0.490518  0.461381  1
  Ni  Ni59  1  0.612466  0.217641  0.491642  1
  Ni  Ni60  1  0.976064  0.944946  0.521984  1
  Ni  Ni61  1  0.766879  0.526468  0.534813  1
  Ni  Ni62  1  0.039772  0.072039  0.474211  1
  Ni  Ni63  1  0.403369  0.799344  0.504552  1
  Ni  Ni64  1  0.339707  0.672302  0.552275  1
  Ni  Ni65  1  0.703116  0.399232  0.582494  1
  Ni  Ni66  1  0.066700  0.126650  0.612870  1
  Ni  Ni67  1  0.857810  0.708540  0.625560  1
  Ni  Ni68  1  0.130395  0.253674  0.565107  1
  Ni  Ni69  1  0.493989  0.981052  0.595526  1
  Ni  Ni70  1  0.430698  0.854831  0.643452  1
  Ni  Ni71  1  0.794086  0.581104  0.673014  1
  Ni  Ni72  1  0.156606  0.306665  0.703458  1
  Ni  Ni73  1  0.944470  0.883866  0.716510  1
  Ni  Ni74  1  0.221590  0.436178  0.655586  1
  Ni  Ni75  1  0.585579  0.164784  0.686750  1
