# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32722901
_cell_length_b   8.99331259
_cell_length_c   49.41768986
_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   2812.00236854
_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  0.015358  0.061217  0.342152  1
  Al  Al2  1  0.216992  0.365645  0.312094  1
  Al  Al3  1  0.191221  0.777096  0.361778  1
  Al  Al4  1  0.337239  0.277096  0.361778  1
  Al  Al5  1  0.664807  0.427946  0.296868  1
  Al  Al6  1  0.863653  0.927946  0.296868  1
  Al  Al7  1  0.684068  0.848858  0.343430  1
  Al  Al8  1  0.844392  0.348858  0.343430  1
  Al  Al9  1  0.311468  0.865645  0.312094  1
  Al  Al10  1  0.548256  0.137268  0.317720  1
  Al  Al11  1  0.980204  0.637268  0.317720  1
  Al  Al12  1  0.513102  0.561217  0.342152  1
  Al  Al13  1  0.026123  0.770795  0.424123  1
  Al  Al14  1  0.193370  0.068953  0.396684  1
  Al  Al15  1  0.191617  0.491050  0.446047  1
  Al  Al16  1  0.336843  0.991050  0.446047  1
  Al  Al17  1  0.686922  0.136029  0.375852  1
  Al  Al18  1  0.841538  0.636029  0.375852  1
  Al  Al19  1  0.696970  0.560420  0.425892  1
  Al  Al20  1  0.831491  0.060420  0.425892  1
  Al  Al21  1  0.335090  0.568953  0.396684  1
  Al  Al22  1  0.521893  0.856568  0.398010  1
  Al  Al23  1  1.006567  0.356568  0.398010  1
  Al  Al24  1  0.502338  0.270795  0.424123  1
  Al  Al25  1  0.024338  0.483495  0.508149  1
  Al  Al26  1  0.194208  0.781800  0.480416  1
  Al  Al27  1  0.193540  0.203217  0.530045  1
  Al  Al28  1  0.334921  0.703217  0.530045  1
  Al  Al29  1  0.693540  0.850721  0.460563  1
  Al  Al30  1  0.834921  0.350721  0.460563  1
  Al  Al31  1  0.694208  0.272138  0.510191  1
  Al  Al32  1  0.834252  0.772138  0.510191  1
  Al  Al33  1  0.334252  0.281800  0.480416  1
  Al  Al34  1  0.524338  0.570443  0.482458  1
  Al  Al35  1  1.004122  0.070443  0.482458  1
  Al  Al36  1  0.504122  0.983495  0.508149  1
  Al  Al37  1  0.021893  0.197370  0.592598  1
  Al  Al38  1  0.196970  0.493518  0.564716  1
  Al  Al39  1  0.186922  0.917909  0.614756  1
  Al  Al40  1  0.341538  0.417909  0.614756  1
  Al  Al41  1  0.691617  0.562888  0.544561  1
  Al  Al42  1  0.836843  0.062888  0.544561  1
  Al  Al43  1  0.693370  0.984985  0.593923  1
  Al  Al44  1  0.835090  0.484985  0.593923  1
  Al  Al45  1  0.331491  0.993518  0.564716  1
  Al  Al46  1  0.526123  0.283143  0.566484  1
  Al  Al47  1  1.002338  0.783143  0.566484  1
  Al  Al48  1  0.506567  0.697370  0.592598  1
  Al  Al49  1  0.048256  0.916670  0.672887  1
  Al  Al50  1  0.184068  0.205080  0.647178  1
  Al  Al51  1  0.164807  0.625992  0.693740  1
  Al  Al52  1  0.363653  0.125992  0.693740  1
  Al  Al53  1  0.691221  0.276842  0.628829  1
  Al  Al54  1  0.837239  0.776842  0.628829  1
  Al  Al55  1  0.716992  0.688293  0.678513  1
  Al  Al56  1  0.811468  0.188293  0.678513  1
  Al  Al57  1  0.344392  0.705080  0.647178  1
  Al  Al58  1  0.515358  0.992721  0.648456  1
  Al  Al59  1  1.013102  0.492721  0.648456  1
  Al  Al60  1  0.480204  0.416670  0.672887  1
  Ni  Ni61  1  0.905589  0.204648  0.301281  1
  Ni  Ni62  1  0.382031  0.005404  0.355264  1
  Ni  Ni63  1  0.146429  0.505404  0.355264  1
  Ni  Ni64  1  0.622871  0.704648  0.301281  1
  Ni  Ni65  1  0.891948  0.908496  0.383857  1
  Ni  Ni66  1  0.393963  0.718863  0.439101  1
  Ni  Ni67  1  0.134497  0.218863  0.439101  1
  Ni  Ni68  1  0.636512  0.408496  0.383857  1
  Ni  Ni69  1  0.891931  0.622476  0.467505  1
  Ni  Ni70  1  0.391931  0.431462  0.523103  1
  Ni  Ni71  1  0.136529  0.931462  0.523103  1
  Ni  Ni72  1  0.636529  0.122476  0.467505  1
  Ni  Ni73  1  0.893963  0.335075  0.551507  1
  Ni  Ni74  1  0.391948  0.145442  0.606751  1
  Ni  Ni75  1  0.136512  0.645442  0.606751  1
  Ni  Ni76  1  0.634497  0.835075  0.551507  1
  Ni  Ni77  1  0.882031  0.048534  0.635344  1
  Ni  Ni78  1  0.405589  0.849290  0.689326  1
  Ni  Ni79  1  0.122871  0.349290  0.689326  1
  Ni  Ni80  1  0.646429  0.548534  0.635344  1
