# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35214149
_cell_length_b   12.94289824
_cell_length_c   48.10603031
_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   2087.14873308
_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  1.027002  0.529785  0.312783  1
  Al  Al2  1  1.027002  0.298477  0.271374  1
  Al  Al3  1  1.027002  0.914740  0.291540  1
  Al  Al4  1  1.027002  0.377504  0.374323  1
  Al  Al5  1  1.027002  0.146240  0.332730  1
  Al  Al6  1  1.027002  0.761711  0.353226  1
  Al  Al7  1  1.027002  0.223223  0.436846  1
  Al  Al8  1  1.027002  -0.007378  0.395203  1
  Al  Al9  1  1.027002  0.608013  0.415912  1
  Al  Al10  1  1.027002  0.069088  0.499338  1
  Al  Al11  1  1.027002  0.838439  0.457593  1
  Al  Al12  1  1.027002  0.453745  0.478471  1
  Al  Al13  1  1.027002  0.914918  0.561739  1
  Al  Al14  1  1.027002  0.684282  0.520079  1
  Al  Al15  1  1.027002  0.299548  0.541045  1
  Al  Al16  1  1.027002  0.760839  0.624295  1
  Al  Al17  1  1.027002  0.529951  0.582569  1
  Al  Al18  1  1.027002  0.145669  0.603655  1
  Al  Al19  1  1.027002  0.607067  0.685650  1
  Al  Al20  1  1.027002  0.376290  0.644950  1
  Al  Al21  1  1.027002  0.991435  0.664867  1
  Ni  Ni22  1  1.027002  0.339144  0.322503  1
  Ni  Ni23  1  1.027002  0.105512  0.279251  1
  Ni  Ni24  1  1.027002  0.723358  0.299854  1
  Ni  Ni25  1  0.527002  0.416897  0.290471  1
  Ni  Ni26  1  0.527002  0.030995  0.311816  1
  Ni  Ni27  1  0.527002  0.647395  0.332180  1
  Ni  Ni28  1  0.527002  0.603430  0.280122  1
  Ni  Ni29  1  0.527002  0.221203  0.301821  1
  Ni  Ni30  1  0.527002  0.838376  0.322347  1
  Ni  Ni31  1  1.027002  0.184951  0.384778  1
  Ni  Ni32  1  1.027002  0.954468  0.343452  1
  Ni  Ni33  1  1.027002  0.570204  0.363864  1
  Ni  Ni34  1  0.527002  0.261752  0.353565  1
  Ni  Ni35  1  0.527002  0.877042  0.374317  1
  Ni  Ni36  1  0.527002  0.492808  0.395191  1
  Ni  Ni37  1  0.527002  0.454151  0.343331  1
  Ni  Ni38  1  0.527002  0.069665  0.363927  1
  Ni  Ni39  1  0.527002  0.685069  0.384562  1
  Ni  Ni40  1  1.027002  0.030846  0.447252  1
  Ni  Ni41  1  1.027002  0.800162  0.405468  1
  Ni  Ni42  1  1.027002  0.415589  0.426407  1
  Ni  Ni43  1  0.527002  0.107946  0.416018  1
  Ni  Ni44  1  0.527002  0.723166  0.436727  1
  Ni  Ni45  1  0.527002  0.338489  0.457663  1
  Ni  Ni46  1  0.527002  0.300347  0.405581  1
  Ni  Ni47  1  0.527002  0.915494  0.426380  1
  Ni  Ni48  1  0.527002  0.530872  0.447213  1
  Ni  Ni49  1  1.027002  0.876679  0.509681  1
  Ni  Ni50  1  1.027002  0.646121  0.468006  1
  Ni  Ni51  1  1.027002  0.261400  0.488933  1
  Ni  Ni52  1  0.527002  0.953761  0.478465  1
  Ni  Ni53  1  0.527002  0.569008  0.499271  1
  Ni  Ni54  1  0.527002  0.184375  0.520212  1
  Ni  Ni55  1  0.527002  0.146144  0.468102  1
  Ni  Ni56  1  0.527002  0.761381  0.488831  1
  Ni  Ni57  1  0.527002  0.376634  0.509738  1
  Ni  Ni58  1  1.027002  0.722507  0.572147  1
  Ni  Ni59  1  1.027002  0.491883  0.530530  1
  Ni  Ni60  1  1.027002  0.107371  0.551453  1
  Ni  Ni61  1  0.527002  0.799568  0.540905  1
  Ni  Ni62  1  0.527002  0.414722  0.561802  1
  Ni  Ni63  1  0.527002  0.030332  0.582608  1
  Ni  Ni64  1  0.527002  0.992021  0.530548  1
  Ni  Ni65  1  0.527002  0.607166  0.551327  1
  Ni  Ni66  1  0.527002  0.222518  0.572390  1
  Ni  Ni67  1  1.027002  0.568389  0.634352  1
  Ni  Ni68  1  1.027002  0.337550  0.593148  1
  Ni  Ni69  1  1.027002  0.953186  0.613692  1
  Ni  Ni70  1  0.527002  0.645568  0.603329  1
  Ni  Ni71  1  0.527002  0.261036  0.624709  1
  Ni  Ni72  1  0.527002  0.876039  0.644936  1
  Ni  Ni73  1  0.527002  0.837765  0.592955  1
  Ni  Ni74  1  0.527002  0.452943  0.613803  1
  Ni  Ni75  1  0.527002  0.069083  0.634640  1
  Ni  Ni76  1  1.027002  0.418617  0.697898  1
  Ni  Ni77  1  1.027002  0.183761  0.655965  1
  Ni  Ni78  1  1.027002  0.801135  0.676272  1
  Ni  Ni79  1  0.527002  0.490650  0.665657  1
  Ni  Ni80  1  0.527002  0.107481  0.687694  1
  Ni  Ni81  1  0.527002  0.723757  0.707453  1
  Ni  Ni82  1  0.527002  0.684241  0.655323  1
  Ni  Ni83  1  0.527002  0.299216  0.677487  1
  Ni  Ni84  1  0.527002  0.916886  0.697623  1
