# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78843287
_cell_length_b   9.96521463
_cell_length_c   54.51931390
_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   2601.5396085
_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  0.604294  0.183348  0.337372  1
  Al  Al2  1  0.130581  0.129875  0.306730  1
  Al  Al3  1  0.126946  0.363215  0.341744  1
  Al  Al4  1  0.626794  0.137299  0.285996  1
  Al  Al5  1  0.382289  0.922782  0.349350  1
  Al  Al6  1  0.898581  0.697860  0.293140  1
  Al  Al7  1  0.388320  0.575462  0.296303  1
  Al  Al8  1  0.879704  0.925775  0.328053  1
  Al  Al9  1  0.623651  0.481405  0.337783  1
  Al  Al10  1  0.907389  0.392928  0.295679  1
  Al  Al11  1  0.404928  0.876474  0.296565  1
  Al  Al12  1  0.104068  0.664990  0.340196  1
  Al  Al13  1  0.600676  0.756964  0.428790  1
  Al  Al14  1  0.123839  0.709911  0.396135  1
  Al  Al15  1  0.123828  0.939645  0.432172  1
  Al  Al16  1  0.623510  0.713568  0.373455  1
  Al  Al17  1  0.386376  0.497617  0.441766  1
  Al  Al18  1  0.884718  0.271739  0.382967  1
  Al  Al19  1  0.386944  0.153202  0.386563  1
  Al  Al20  1  0.886167  0.500503  0.419293  1
  Al  Al21  1  0.623363  0.057765  0.428416  1
  Al  Al22  1  0.906429  0.967139  0.383332  1
  Al  Al23  1  0.409257  0.455193  0.386414  1
  Al  Al24  1  0.101352  0.241744  0.431859  1
  Al  Al25  1  0.601034  0.330204  0.520426  1
  Al  Al26  1  0.123476  0.284091  0.487410  1
  Al  Al27  1  0.122995  0.513341  0.523651  1
  Al  Al28  1  0.623434  0.287476  0.464903  1
  Al  Al29  1  0.385766  0.071266  0.532957  1
  Al  Al30  1  0.886205  0.845401  0.474208  1
  Al  Al31  1  0.386600  0.726502  0.477897  1
  Al  Al32  1  0.885724  0.074651  0.510449  1
  Al  Al33  1  0.622600  0.632240  0.519962  1
  Al  Al34  1  0.908484  0.543143  0.474738  1
  Al  Al35  1  0.408166  0.028538  0.477433  1
  Al  Al36  1  0.100717  0.815600  0.523122  1
  Al  Al37  1  0.599943  0.903550  0.611445  1
  Al  Al38  1  0.123033  0.858239  0.578566  1
  Al  Al39  1  0.124482  0.087003  0.614892  1
  Al  Al40  1  0.622824  0.861125  0.556094  1
  Al  Al41  1  0.385690  0.645174  0.624404  1
  Al  Al42  1  0.885372  0.419097  0.565687  1
  Al  Al43  1  0.385837  0.300977  0.569444  1
  Al  Al44  1  0.885361  0.648831  0.601725  1
  Al  Al45  1  0.622256  0.205540  0.611297  1
  Al  Al46  1  0.907848  0.116999  0.566001  1
  Al  Al47  1  0.408524  0.601779  0.569070  1
  Al  Al48  1  0.102771  0.391603  0.614527  1
  Al  Al49  1  0.604272  0.482268  0.701294  1
  Al  Al50  1  0.129496  0.432967  0.669807  1
  Al  Al51  1  0.110619  0.660882  0.704719  1
  Al  Al52  1  0.626911  0.435960  0.648510  1
  Al  Al53  1  0.382406  0.221443  0.711864  1
  Al  Al54  1  0.882254  0.995527  0.656115  1
  Al  Al55  1  0.385549  0.877337  0.660077  1
  Al  Al56  1  0.878619  0.228867  0.691130  1
  Al  Al57  1  0.620881  0.783280  0.701556  1
  Al  Al58  1  0.905132  0.693752  0.657664  1
  Al  Al59  1  0.404907  0.175394  0.660488  1
  Al  Al60  1  0.101811  0.965814  0.702181  1
  Ni  Ni61  1  0.083725  0.120748  0.351051  1
  Ni  Ni62  1  0.412423  0.335355  0.304842  1
  Ni  Ni63  1  0.919675  0.938247  0.282940  1
  Ni  Ni64  1  0.590574  0.723611  0.328340  1
  Ni  Ni65  1  0.085790  0.696519  0.441752  1
  Ni  Ni66  1  0.419742  0.909895  0.395539  1
  Ni  Ni67  1  0.924722  0.515029  0.373641  1
  Ni  Ni68  1  0.586709  0.301409  0.419262  1
  Ni  Ni69  1  0.086480  0.270287  0.533122  1
  Ni  Ni70  1  0.422952  0.483293  0.487432  1
  Ni  Ni71  1  0.922720  0.088455  0.464737  1
  Ni  Ni72  1  0.586248  0.875449  0.510428  1
  Ni  Ni73  1  0.084478  0.843714  0.624219  1
  Ni  Ni74  1  0.422492  0.057333  0.578597  1
  Ni  Ni75  1  0.923410  0.662223  0.556108  1
  Ni  Ni76  1  0.589458  0.448848  0.602321  1
  Ni  Ni77  1  0.089525  0.420495  0.714920  1
  Ni  Ni78  1  0.418626  0.635131  0.669519  1
  Ni  Ni79  1  0.925475  0.237994  0.646808  1
  Ni  Ni80  1  0.596777  0.023388  0.693018  1
