# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02788009
_cell_length_b   7.84573973
_cell_length_c   54.21436742
_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   2563.96974727
_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  0.265406  0.234974  0.302274  1
  Al  Al2  1  0.384207  0.437483  0.340891  1
  Al  Al3  1  0.384207  0.032465  0.340891  1
  Al  Al4  1  0.568370  0.493735  0.296389  1
  Al  Al5  1  0.942864  0.469622  0.319012  1
  Al  Al6  1  0.135235  0.933544  0.275687  1
  Al  Al7  1  0.942864  0.000326  0.319012  1
  Al  Al8  1  0.135235  0.536403  0.275687  1
  Al  Al9  1  0.568370  0.976213  0.296389  1
  Al  Al10  1  0.852565  0.234974  0.282220  1
  Al  Al11  1  0.244506  0.734974  0.315847  1
  Al  Al12  1  0.688216  0.734974  0.336618  1
  Al  Al13  1  0.157736  0.234974  0.390849  1
  Al  Al14  1  0.274900  0.434630  0.432700  1
  Al  Al15  1  0.274900  0.035317  0.432700  1
  Al  Al16  1  0.454378  0.505344  0.388495  1
  Al  Al17  1  0.836655  0.463801  0.408901  1
  Al  Al18  1  1.017655  0.934400  0.365006  1
  Al  Al19  1  0.836655  0.006146  0.408901  1
  Al  Al20  1  1.017655  0.535548  0.365006  1
  Al  Al21  1  0.454378  0.964604  0.388495  1
  Al  Al22  1  0.705997  0.234974  0.368734  1
  Al  Al23  1  0.133456  0.734974  0.406756  1
  Al  Al24  1  0.589350  0.734974  0.428840  1
  Al  Al25  1  0.052397  0.234974  0.482141  1
  Al  Al26  1  0.169168  0.434544  0.524198  1
  Al  Al27  1  0.169168  0.035404  0.524198  1
  Al  Al28  1  0.348342  0.506927  0.480126  1
  Al  Al29  1  0.731192  0.463020  0.500377  1
  Al  Al30  1  0.910367  0.934544  0.456305  1
  Al  Al31  1  0.731192  0.006927  0.500377  1
  Al  Al32  1  0.910367  0.535404  0.456305  1
  Al  Al33  1  0.348342  0.963020  0.480126  1
  Al  Al34  1  0.595611  0.234974  0.460090  1
  Al  Al35  1  1.027137  0.734974  0.498362  1
  Al  Al36  1  0.483923  0.734974  0.520414  1
  Al  Al37  1  0.946078  0.234974  0.573748  1
  Al  Al38  1  0.061879  0.434400  0.615498  1
  Al  Al39  1  0.061879  0.035548  0.615498  1
  Al  Al40  1  0.242879  0.506146  0.571602  1
  Al  Al41  1  0.625156  0.464604  0.592008  1
  Al  Al42  1  0.804634  0.934630  0.547803  1
  Al  Al43  1  0.625156  0.005344  0.592008  1
  Al  Al44  1  0.804634  0.535317  0.547803  1
  Al  Al45  1  0.242879  0.963801  0.571602  1
  Al  Al46  1  0.490184  0.234974  0.551664  1
  Al  Al47  1  0.921798  0.734974  0.589654  1
  Al  Al48  1  0.373537  0.734974  0.611769  1
  Al  Al49  1  0.835028  0.234974  0.664656  1
  Al  Al50  1  0.944299  0.433544  0.704816  1
  Al  Al51  1  0.944299  0.036403  0.704816  1
  Al  Al52  1  0.136670  0.500326  0.661491  1
  Al  Al53  1  0.511164  0.476213  0.684114  1
  Al  Al54  1  0.695327  0.937483  0.639612  1
  Al  Al55  1  0.511164  -0.006265  0.684114  1
  Al  Al56  1  0.695327  0.532465  0.639612  1
  Al  Al57  1  0.136670  0.969622  0.661491  1
  Al  Al58  1  0.391318  0.234974  0.643885  1
  Al  Al59  1  0.814128  0.734974  0.678230  1
  Al  Al60  1  0.226969  0.734974  0.698283  1
  Ni  Ni61  1  0.059563  0.234974  0.345255  1
  Ni  Ni62  1  0.659339  0.234974  0.322632  1
  Ni  Ni63  1  0.460883  0.734974  0.272610  1
  Ni  Ni64  1  0.854643  0.734974  0.293981  1
  Ni  Ni65  1  0.948708  0.234974  0.436685  1
  Ni  Ni66  1  0.546450  0.234974  0.412949  1
  Ni  Ni67  1  0.342394  0.734974  0.360942  1
  Ni  Ni68  1  0.743832  0.734974  0.384348  1
  Ni  Ni69  1  0.843139  0.234974  0.528269  1
  Ni  Ni70  1  0.440201  0.234974  0.504402  1
  Ni  Ni71  1  0.236395  0.734974  0.452235  1
  Ni  Ni72  1  0.639334  0.734974  0.476101  1
  Ni  Ni73  1  0.737140  0.234974  0.619561  1
  Ni  Ni74  1  0.335702  0.234974  0.596155  1
  Ni  Ni75  1  0.130826  0.734974  0.543818  1
  Ni  Ni76  1  0.533085  0.734974  0.567554  1
  Ni  Ni77  1  0.618651  0.234974  0.707894  1
  Ni  Ni78  1  0.224892  0.234974  0.686522  1
  Ni  Ni79  1  1.019971  0.734974  0.635248  1
  Ni  Ni80  1  0.420196  0.734974  0.657871  1
