# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37858057
_cell_length_b   8.82333540
_cell_length_c   49.39295252
_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   2779.85293871
_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  0.024020  0.985541  0.343697  1
  Al  Al2  1  0.204337  0.298353  0.312186  1
  Al  Al3  1  0.194035  0.705872  0.364175  1
  Al  Al4  1  0.322584  0.205872  0.364175  1
  Al  Al5  1  0.669981  0.359679  0.295905  1
  Al  Al6  1  0.846639  0.859679  0.295905  1
  Al  Al7  1  0.677374  0.780164  0.345718  1
  Al  Al8  1  0.839246  0.280164  0.345718  1
  Al  Al9  1  0.312283  0.798353  0.312186  1
  Al  Al10  1  0.548950  0.073091  0.320140  1
  Al  Al11  1  0.967670  0.573091  0.320140  1
  Al  Al12  1  0.492600  0.485541  0.343697  1
  Al  Al13  1  0.033464  0.683147  0.425308  1
  Al  Al14  1  0.192065  0.976874  0.398055  1
  Al  Al15  1  0.186569  0.399957  0.448738  1
  Al  Al16  1  0.330051  0.899957  0.448738  1
  Al  Al17  1  0.680225  0.051092  0.378000  1
  Al  Al18  1  0.836395  0.551092  0.378000  1
  Al  Al19  1  0.688864  0.473618  0.428463  1
  Al  Al20  1  0.827756  0.973618  0.428463  1
  Al  Al21  1  0.324555  0.476874  0.398055  1
  Al  Al22  1  0.535408  0.766806  0.401194  1
  Al  Al23  1  0.981212  0.266806  0.401194  1
  Al  Al24  1  0.483156  0.183147  0.425308  1
  Al  Al25  1  0.032294  0.375733  0.509146  1
  Al  Al26  1  0.188406  0.671428  0.481555  1
  Al  Al27  1  0.188457  0.093905  0.532379  1
  Al  Al28  1  0.328163  0.593905  0.532379  1
  Al  Al29  1  0.688457  0.744916  0.461567  1
  Al  Al30  1  0.828163  0.244916  0.461567  1
  Al  Al31  1  0.688406  0.167393  0.512391  1
  Al  Al32  1  0.828214  0.667393  0.512391  1
  Al  Al33  1  0.328214  0.171428  0.481555  1
  Al  Al34  1  0.532294  0.463088  0.484799  1
  Al  Al35  1  0.984326  0.963088  0.484799  1
  Al  Al36  1  0.484326  0.875733  0.509146  1
  Al  Al37  1  0.035408  0.072015  0.592751  1
  Al  Al38  1  0.188864  0.365203  0.565482  1
  Al  Al39  1  0.180225  0.787729  0.615945  1
  Al  Al40  1  0.336395  0.287729  0.615945  1
  Al  Al41  1  0.686569  0.438864  0.545208  1
  Al  Al42  1  0.830051  0.938864  0.545208  1
  Al  Al43  1  0.692065  0.861947  0.595890  1
  Al  Al44  1  0.824555  0.361947  0.595890  1
  Al  Al45  1  0.327756  0.865203  0.565482  1
  Al  Al46  1  0.533464  0.155674  0.568637  1
  Al  Al47  1  0.983156  0.655674  0.568637  1
  Al  Al48  1  0.481212  0.572015  0.592751  1
  Al  Al49  1  0.048950  0.765730  0.673806  1
  Al  Al50  1  0.177374  0.058658  0.648228  1
  Al  Al51  1  0.169981  0.479142  0.698041  1
  Al  Al52  1  0.346639  0.979142  0.698041  1
  Al  Al53  1  0.694035  0.132949  0.629770  1
  Al  Al54  1  0.822584  0.632949  0.629770  1
  Al  Al55  1  0.704337  0.540468  0.681760  1
  Al  Al56  1  0.812283  0.040468  0.681760  1
  Al  Al57  1  0.339246  0.558658  0.648228  1
  Al  Al58  1  0.524020  0.853280  0.650249  1
  Al  Al59  1  0.992600  0.353280  0.650249  1
  Al  Al60  1  0.467670  0.265730  0.673806  1
  Ni  Ni61  1  0.901449  0.133959  0.304855  1
  Ni  Ni62  1  0.382954  0.933102  0.356521  1
  Ni  Ni63  1  0.133666  0.433102  0.356521  1
  Ni  Ni64  1  0.615171  0.633959  0.304855  1
  Ni  Ni65  1  0.892970  0.826635  0.385430  1
  Ni  Ni66  1  0.390052  0.625094  0.440689  1
  Ni  Ni67  1  0.126568  0.125094  0.440689  1
  Ni  Ni68  1  0.623650  0.326635  0.385430  1
  Ni  Ni69  1  0.889149  0.519322  0.469621  1
  Ni  Ni70  1  0.389149  0.319499  0.524324  1
  Ni  Ni71  1  0.127471  0.819499  0.524324  1
  Ni  Ni72  1  0.627471  0.019322  0.469621  1
  Ni  Ni73  1  0.890052  0.213727  0.553256  1
  Ni  Ni74  1  0.392970  0.012186  0.608516  1
  Ni  Ni75  1  0.123650  0.512186  0.608516  1
  Ni  Ni76  1  0.626568  0.713727  0.553256  1
  Ni  Ni77  1  0.882954  0.905719  0.637425  1
  Ni  Ni78  1  0.401449  0.704862  0.689090  1
  Ni  Ni79  1  0.115171  0.204862  0.689090  1
  Ni  Ni80  1  0.633666  0.405719  0.637425  1
