# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39709149
_cell_length_b   8.62836915
_cell_length_c   53.22762913
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al36 Ni60'
_cell_volume   2478.70943682
_cell_formula_units_Z   12
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  0.081361  0.503299  0.274959  1
  Al  Al2  1  0.081361  0.802075  0.291903  1
  Al  Al3  1  0.081361  0.200308  0.254658  1
  Al  Al4  1  0.581361  0.919512  0.236866  1
  Al  Al5  1  0.581361  0.217718  0.255784  1
  Al  Al6  1  0.581361  0.780723  0.291833  1
  Al  Al7  1  0.081361  0.668810  0.346188  1
  Al  Al8  1  0.081361  0.968750  0.363347  1
  Al  Al9  1  0.081361  0.363107  0.327580  1
  Al  Al10  1  0.581361  0.084663  0.309688  1
  Al  Al11  1  0.581361  0.384528  0.326975  1
  Al  Al12  1  0.581361  0.947083  0.363820  1
  Al  Al13  1  0.081361  0.833472  0.417739  1
  Al  Al14  1  0.081361  0.133712  0.435125  1
  Al  Al15  1  0.081361  0.529057  0.399298  1
  Al  Al16  1  0.581361  0.249940  0.381382  1
  Al  Al17  1  0.581361  0.550498  0.398880  1
  Al  Al18  1  0.581361  0.112216  0.435467  1
  Al  Al19  1  0.081361  -0.001306  0.489523  1
  Al  Al20  1  0.081361  0.298445  0.506833  1
  Al  Al21  1  0.081361  0.694044  0.470980  1
  Al  Al22  1  0.581361  0.414810  0.453073  1
  Al  Al23  1  0.581361  0.715359  0.470584  1
  Al  Al24  1  0.581361  0.277016  0.507124  1
  Al  Al25  1  0.081361  0.165030  0.561430  1
  Al  Al26  1  0.081361  0.464578  0.578326  1
  Al  Al27  1  0.081361  0.858549  0.542422  1
  Al  Al28  1  0.581361  0.579909  0.524812  1
  Al  Al29  1  0.581361  0.879861  0.542006  1
  Al  Al30  1  0.581361  0.442175  0.578703  1
  Al  Al31  1  0.081361  0.333691  0.634835  1
  Al  Al32  1  0.081361  0.632982  0.650041  1
  Al  Al33  1  0.081361  0.025203  0.612870  1
  Al  Al34  1  0.581361  0.746564  0.596593  1
  Al  Al35  1  0.581361  0.047482  0.612566  1
  Al  Al36  1  0.581361  0.602674  0.650448  1
  Ni  Ni37  1  0.581361  0.504385  0.275421  1
  Ni  Ni38  1  0.329270  0.291351  0.291267  1
  Ni  Ni39  1  0.327879  0.710319  0.255255  1
  Ni  Ni40  1  0.329444  0.429928  0.238621  1
  Ni  Ni41  1  0.833279  0.429928  0.238621  1
  Ni  Ni42  1  0.081361  0.930601  0.237474  1
  Ni  Ni43  1  0.834843  0.710319  0.255255  1
  Ni  Ni44  1  0.833453  0.291351  0.291267  1
  Ni  Ni45  1  0.823499  -0.000074  0.274289  1
  Ni  Ni46  1  0.339224  -0.000074  0.274289  1
  Ni  Ni47  1  0.581361  0.668453  0.346296  1
  Ni  Ni48  1  0.331308  0.457841  0.363072  1
  Ni  Ni49  1  0.332466  0.875608  0.327627  1
  Ni  Ni50  1  0.322463  0.584643  0.310782  1
  Ni  Ni51  1  0.840260  0.584643  0.310782  1
  Ni  Ni52  1  0.081361  0.083784  0.309875  1
  Ni  Ni53  1  0.830257  0.875608  0.327627  1
  Ni  Ni54  1  0.831415  0.457841  0.363072  1
  Ni  Ni55  1  0.822394  0.166316  0.345632  1
  Ni  Ni56  1  0.340329  0.166316  0.345632  1
  Ni  Ni57  1  0.581361  0.833472  0.417772  1
  Ni  Ni58  1  0.331245  0.623053  0.434860  1
  Ni  Ni59  1  0.331320  0.041216  0.399361  1
  Ni  Ni60  1  0.322635  0.750060  0.382047  1
  Ni  Ni61  1  0.840088  0.750060  0.382047  1
  Ni  Ni62  1  0.081361  0.249811  0.381347  1
  Ni  Ni63  1  0.831403  0.041216  0.399361  1
  Ni  Ni64  1  0.831478  0.623053  0.434860  1
  Ni  Ni65  1  0.822904  0.331570  0.417287  1
  Ni  Ni66  1  0.339819  0.331570  0.417287  1
  Ni  Ni67  1  0.581361  -0.001448  0.489598  1
  Ni  Ni68  1  0.331069  0.787735  0.506434  1
  Ni  Ni69  1  0.331473  0.206062  0.471057  1
  Ni  Ni70  1  0.322894  0.915009  0.453721  1
  Ni  Ni71  1  0.839829  0.915009  0.453721  1
  Ni  Ni72  1  0.081361  0.414689  0.453070  1
  Ni  Ni73  1  0.831250  0.206062  0.471057  1
  Ni  Ni74  1  0.831654  0.787735  0.506434  1
  Ni  Ni75  1  0.822995  0.496436  0.489018  1
  Ni  Ni76  1  0.339728  0.496436  0.489018  1
  Ni  Ni77  1  0.581361  0.164784  0.561749  1
  Ni  Ni78  1  0.330901  0.952399  0.577574  1
  Ni  Ni79  1  0.331841  0.371055  0.542688  1
  Ni  Ni80  1  0.323109  0.080356  0.525668  1
  Ni  Ni81  1  0.839614  0.080356  0.525668  1
  Ni  Ni82  1  0.081361  0.579660  0.524860  1
  Ni  Ni83  1  0.830882  0.371055  0.542688  1
  Ni  Ni84  1  0.831822  0.952399  0.577574  1
  Ni  Ni85  1  0.822891  0.662028  0.560832  1
  Ni  Ni86  1  0.339832  0.662028  0.560832  1
  Ni  Ni87  1  0.581361  0.326600  0.633896  1
  Ni  Ni88  1  0.328892  0.107931  0.649588  1
  Ni  Ni89  1  0.332119  0.536658  0.613887  1
  Ni  Ni90  1  0.320354  0.248845  0.597729  1
  Ni  Ni91  1  0.842369  0.248845  0.597729  1
  Ni  Ni92  1  0.081361  0.745918  0.596869  1
  Ni  Ni93  1  0.830604  0.536658  0.613887  1
  Ni  Ni94  1  0.833831  0.107931  0.649588  1
  Ni  Ni95  1  0.820260  0.831610  0.632821  1
  Ni  Ni96  1  0.342463  0.831610  0.632821  1
