# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35198913
_cell_length_b   12.94294142
_cell_length_c   48.10912421
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al21 Ni63'
_cell_volume   2087.19506129
_cell_formula_units_Z   21
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  0.527026  0.338183  0.322559  1
  Al  Al2  1  0.527026  0.106979  0.281393  1
  Al  Al3  1  0.527026  0.724224  0.302141  1
  Al  Al4  1  0.527026  0.184902  0.384723  1
  Al  Al5  1  0.527026  0.954091  0.342990  1
  Al  Al6  1  0.527026  0.569750  0.363754  1
  Al  Al7  1  0.527026  0.030723  0.447192  1
  Al  Al8  1  0.527026  0.800187  0.405559  1
  Al  Al9  1  0.527026  0.415502  0.426334  1
  Al  Al10  1  0.527026  0.876553  0.509694  1
  Al  Al11  1  0.527026  0.645978  0.468020  1
  Al  Al12  1  0.527026  0.261298  0.488846  1
  Al  Al13  1  0.527026  0.722351  0.572191  1
  Al  Al14  1  0.527026  0.491855  0.530528  1
  Al  Al15  1  0.527026  0.107067  0.551332  1
  Al  Al16  1  0.527026  0.568591  0.634802  1
  Al  Al17  1  0.527026  0.337580  0.593019  1
  Al  Al18  1  0.527026  0.953196  0.613952  1
  Al  Al19  1  0.527026  0.416904  0.696179  1
  Al  Al20  1  0.527026  0.184329  0.654836  1
  Al  Al21  1  0.527026  0.800263  0.674856  1
  Ni  Ni22  1  0.527026  0.530579  0.311854  1
  Ni  Ni23  1  0.527026  0.298584  0.269760  1
  Ni  Ni24  1  0.527026  0.912388  0.289291  1
  Ni  Ni25  1  1.027026  0.415933  0.290255  1
  Ni  Ni26  1  1.027026  0.029484  0.311787  1
  Ni  Ni27  1  1.027026  0.646676  0.332658  1
  Ni  Ni28  1  1.027026  0.606472  0.280325  1
  Ni  Ni29  1  1.027026  0.223562  0.301617  1
  Ni  Ni30  1  1.027026  0.839723  0.322194  1
  Ni  Ni31  1  0.527026  0.377452  0.374268  1
  Ni  Ni32  1  0.527026  0.146303  0.333000  1
  Ni  Ni33  1  0.527026  0.762032  0.353679  1
  Ni  Ni34  1  1.027026  0.261860  0.353544  1
  Ni  Ni35  1  1.027026  0.877257  0.374283  1
  Ni  Ni36  1  1.027026  0.492598  0.395024  1
  Ni  Ni37  1  1.027026  0.454066  0.342851  1
  Ni  Ni38  1  1.027026  0.069209  0.363885  1
  Ni  Ni39  1  1.027026  0.684808  0.384732  1
  Ni  Ni40  1  0.527026  0.223111  0.436779  1
  Ni  Ni41  1  0.527026  -0.007534  0.395113  1
  Ni  Ni42  1  0.527026  0.607755  0.415919  1
  Ni  Ni43  1  1.027026  0.107806  0.415943  1
  Ni  Ni44  1  1.027026  0.723058  0.436786  1
  Ni  Ni45  1  1.027026  0.338399  0.457605  1
  Ni  Ni46  1  1.027026  0.300257  0.405543  1
  Ni  Ni47  1  1.027026  0.915448  0.426370  1
  Ni  Ni48  1  1.027026  0.530713  0.447165  1
  Ni  Ni49  1  0.527026  0.068906  0.499265  1
  Ni  Ni50  1  0.527026  0.838356  0.457621  1
  Ni  Ni51  1  0.527026  0.453663  0.478431  1
  Ni  Ni52  1  1.027026  0.953636  0.478445  1
  Ni  Ni53  1  1.027026  0.568917  0.499270  1
  Ni  Ni54  1  1.027026  0.184193  0.520079  1
  Ni  Ni55  1  1.027026  0.146006  0.468017  1
  Ni  Ni56  1  1.027026  0.761264  0.488862  1
  Ni  Ni57  1  1.027026  0.376586  0.509684  1
  Ni  Ni58  1  0.527026  0.914788  0.561783  1
  Ni  Ni59  1  0.527026  0.684177  0.520110  1
  Ni  Ni60  1  0.527026  0.299502  0.540917  1
  Ni  Ni61  1  1.027026  0.799466  0.540937  1
  Ni  Ni62  1  1.027026  0.414752  0.561779  1
  Ni  Ni63  1  1.027026  0.029970  0.582627  1
  Ni  Ni64  1  1.027026  0.991823  0.530526  1
  Ni  Ni65  1  1.027026  0.607100  0.551372  1
  Ni  Ni66  1  1.027026  0.222342  0.572113  1
  Ni  Ni67  1  0.527026  0.760549  0.624135  1
  Ni  Ni68  1  0.527026  0.530059  0.582639  1
  Ni  Ni69  1  0.527026  0.145185  0.603349  1
  Ni  Ni70  1  1.027026  0.645248  0.603484  1
  Ni  Ni71  1  1.027026  0.260836  0.624078  1
  Ni  Ni72  1  1.027026  0.877122  0.644913  1
  Ni  Ni73  1  1.027026  0.837775  0.592973  1
  Ni  Ni74  1  1.027026  0.453071  0.613832  1
  Ni  Ni75  1  1.027026  0.068480  0.634744  1
  Ni  Ni76  1  0.527026  0.607559  0.688070  1
  Ni  Ni77  1  0.527026  0.375000  0.644943  1
  Ni  Ni78  1  0.527026  -0.007040  0.666238  1
  Ni  Ni79  1  1.027026  0.492456  0.665479  1
  Ni  Ni80  1  1.027026  0.109048  0.687678  1
  Ni  Ni81  1  1.027026  0.727922  0.707465  1
  Ni  Ni82  1  1.027026  0.683243  0.655692  1
  Ni  Ni83  1  1.027026  0.297193  0.677118  1
  Ni  Ni84  1  1.027026  0.916014  0.697694  1
