# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30778765
_cell_length_b   9.74832961
_cell_length_c   46.74536130
_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   2418.70145427
_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  0.131067  0.307599  0.342600  1
  Al  Al2  1  0.632227  0.565985  0.334934  1
  Al  Al3  1  0.635904  0.195017  0.289101  1
  Al  Al4  1  0.133830  0.592479  0.331905  1
  Al  Al5  1  0.849142  0.634357  0.281814  1
  Al  Al6  1  0.385423  0.080525  0.335745  1
  Al  Al7  1  0.881751  0.077987  0.335191  1
  Al  Al8  1  0.339481  0.723867  0.284520  1
  Al  Al9  1  0.130213  0.193739  0.283615  1
  Al  Al10  1  0.387374  0.430922  0.293254  1
  Al  Al11  1  0.903269  0.929226  0.281933  1
  Al  Al12  1  0.627109  0.835548  0.327506  1
  Al  Al13  1  0.119845  0.069638  0.431369  1
  Al  Al14  1  0.646145  0.324202  0.426482  1
  Al  Al15  1  0.641634  0.958506  0.382222  1
  Al  Al16  1  0.143406  0.347763  0.424329  1
  Al  Al17  1  0.873870  0.446899  0.380452  1
  Al  Al18  1  0.377411  0.832102  0.422479  1
  Al  Al19  1  0.876406  0.836159  0.427753  1
  Al  Al20  1  0.374119  0.472609  0.379034  1
  Al  Al21  1  0.137451  0.956120  0.378461  1
  Al  Al22  1  0.401700  0.192768  0.387085  1
  Al  Al23  1  0.896661  0.721955  0.373199  1
  Al  Al24  1  0.621463  0.600184  0.419448  1
  Al  Al25  1  0.120380  0.823445  0.521767  1
  Al  Al26  1  0.643071  0.077316  0.517044  1
  Al  Al27  1  0.643440  0.713660  0.473325  1
  Al  Al28  1  0.143291  0.100333  0.515023  1
  Al  Al29  1  0.876786  0.200829  0.471777  1
  Al  Al30  1  0.376637  0.587502  0.513475  1
  Al  Al31  1  0.876673  0.590549  0.518828  1
  Al  Al32  1  0.377006  0.223846  0.469756  1
  Al  Al33  1  0.143404  0.710613  0.467972  1
  Al  Al34  1  0.399055  0.946555  0.476412  1
  Al  Al35  1  0.899697  0.477717  0.465032  1
  Al  Al36  1  0.621022  0.354607  0.510388  1
  Al  Al37  1  0.123416  0.579207  0.613601  1
  Al  Al38  1  0.645957  0.828553  0.607765  1
  Al  Al39  1  0.642666  0.469060  0.564321  1
  Al  Al40  1  0.146206  0.854263  0.606347  1
  Al  Al41  1  0.876671  0.953399  0.562471  1
  Al  Al42  1  0.378442  0.342656  0.604578  1
  Al  Al43  1  0.882625  0.345042  0.608338  1
  Al  Al44  1  0.373932  0.976960  0.560317  1
  Al  Al45  1  0.143670  0.465003  0.559046  1
  Al  Al46  1  0.398613  0.700978  0.567352  1
  Al  Al47  1  0.900232  0.231525  0.555430  1
  Al  Al48  1  0.618376  0.108394  0.599715  1
  Al  Al49  1  0.116808  0.371936  0.704867  1
  Al  Al50  1  0.680596  0.577295  0.702280  1
  Al  Al51  1  0.634654  0.220637  0.651054  1
  Al  Al52  1  0.170935  0.666805  0.704986  1
  Al  Al53  1  0.886246  0.708683  0.654894  1
  Al  Al54  1  0.384172  0.106145  0.697698  1
  Al  Al55  1  0.889864  0.107423  0.703185  1
  Al  Al56  1  0.387850  0.735177  0.651865  1
  Al  Al57  1  0.138325  0.223175  0.651608  1
  Al  Al58  1  0.392968  0.465614  0.659294  1
  Al  Al59  1  0.889010  0.993563  0.644199  1
  Al  Al60  1  0.632702  0.870240  0.693545  1
  Ni  Ni61  1  0.631501  0.303978  0.342788  1
  Ni  Ni62  1  0.883316  0.404800  0.303558  1
  Ni  Ni63  1  0.386722  0.970676  0.289645  1
  Ni  Ni64  1  0.134861  0.851129  0.328290  1
  Ni  Ni65  1  0.633372  0.064086  0.433030  1
  Ni  Ni66  1  0.887234  0.186708  0.386961  1
  Ni  Ni67  1  0.382339  0.730444  0.370904  1
  Ni  Ni68  1  0.131580  0.606645  0.417444  1
  Ni  Ni69  1  0.632742  0.817952  0.523785  1
  Ni  Ni70  1  0.886619  0.941235  0.478300  1
  Ni  Ni71  1  0.387334  0.483210  0.463014  1
  Ni  Ni72  1  0.133457  0.359927  0.508500  1
  Ni  Ni73  1  0.637737  0.570718  0.615896  1
  Ni  Ni74  1  0.888497  0.694517  0.569356  1
  Ni  Ni75  1  0.386705  0.237076  0.553770  1
  Ni  Ni76  1  0.132843  0.114454  0.599839  1
  Ni  Ni77  1  0.633354  0.330486  0.697154  1
  Ni  Ni78  1  0.885215  0.450033  0.658509  1
  Ni  Ni79  1  0.388575  0.997184  0.644011  1
  Ni  Ni80  1  0.136761  0.896362  0.683242  1
