# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01722380
_cell_length_b   12.89930300
_cell_length_c   48.76364581
_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   'Al32 Ni96'
_cell_volume   3155.91927913
_cell_formula_units_Z   32
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  0.560473  0.705087  0.272854  1
  Al  Al2  1  0.560473  0.109356  0.338743  1
  Al  Al3  1  0.060473  0.895807  0.296444  1
  Al  Al4  1  0.060473  0.521339  0.256347  1
  Al  Al5  1  0.060473  0.609356  0.338743  1
  Al  Al6  1  0.060473  0.205087  0.272854  1
  Al  Al7  1  0.560473  0.021339  0.256347  1
  Al  Al8  1  0.560473  0.395807  0.296444  1
  Al  Al9  1  0.560473  0.482858  0.377581  1
  Al  Al10  1  0.560473  0.877817  0.443027  1
  Al  Al11  1  0.060473  0.690463  0.424215  1
  Al  Al12  1  0.060473  0.294051  0.357393  1
  Al  Al13  1  0.060473  0.377817  0.443027  1
  Al  Al14  1  0.060473  0.982858  0.377581  1
  Al  Al15  1  0.560473  0.794051  0.357393  1
  Al  Al16  1  0.560473  0.190463  0.424215  1
  Al  Al17  1  0.560473  0.272839  0.508545  1
  Al  Al18  1  0.560473  0.646954  0.546598  1
  Al  Al19  1  0.060473  0.461068  0.528979  1
  Al  Al20  1  0.060473  0.065239  0.461819  1
  Al  Al21  1  0.060473  0.146954  0.546598  1
  Al  Al22  1  0.060473  0.772839  0.508545  1
  Al  Al23  1  0.560473  0.565239  0.461819  1
  Al  Al24  1  0.560473  0.961068  0.528979  1
  Al  Al25  1  0.560473  0.048052  0.615632  1
  Al  Al26  1  0.560473  0.457468  0.670724  1
  Al  Al27  1  0.060473  0.234648  0.629844  1
  Al  Al28  1  0.060473  0.855893  0.591992  1
  Al  Al29  1  0.060473  0.957468  0.670724  1
  Al  Al30  1  0.060473  0.548052  0.615632  1
  Al  Al31  1  0.560473  0.355893  0.591992  1
  Al  Al32  1  0.560473  0.734648  0.629844  1
  Ni  Ni33  1  0.312628  0.565927  0.297043  1
  Ni  Ni34  1  0.318072  0.940641  0.336014  1
  Ni  Ni35  1  0.060473  0.710898  0.274571  1
  Ni  Ni36  1  0.060473  0.109261  0.338103  1
  Ni  Ni37  1  0.302874  0.440641  0.336014  1
  Ni  Ni38  1  0.308317  0.065927  0.297043  1
  Ni  Ni39  1  0.809019  0.748979  0.314609  1
  Ni  Ni40  1  0.805341  0.356213  0.255594  1
  Ni  Ni41  1  0.560473  0.894902  0.294793  1
  Ni  Ni42  1  0.560473  0.513456  0.258261  1
  Ni  Ni43  1  0.815604  0.856213  0.255594  1
  Ni  Ni44  1  0.811926  0.248979  0.314609  1
  Ni  Ni45  1  0.818072  0.440641  0.336014  1
  Ni  Ni46  1  0.812628  0.065927  0.297043  1
  Ni  Ni47  1  0.560473  0.609261  0.338103  1
  Ni  Ni48  1  0.560473  0.210898  0.274571  1
  Ni  Ni49  1  0.808317  0.565927  0.297043  1
  Ni  Ni50  1  0.802874  0.940641  0.336014  1
  Ni  Ni51  1  0.305341  0.856213  0.255594  1
  Ni  Ni52  1  0.309019  0.248979  0.314609  1
  Ni  Ni53  1  0.060473  0.013456  0.258261  1
  Ni  Ni54  1  0.060473  0.394902  0.294793  1
  Ni  Ni55  1  0.311926  0.748979  0.314609  1
  Ni  Ni56  1  0.315604  0.356213  0.255594  1
  Ni  Ni57  1  0.314836  0.335927  0.400259  1
  Ni  Ni58  1  0.312399  0.734845  0.466341  1
  Ni  Ni59  1  0.060473  0.480102  0.379097  1
  Ni  Ni60  1  0.060473  0.877888  0.443081  1
  Ni  Ni61  1  0.308546  0.234845  0.466341  1
  Ni  Ni62  1  0.306109  0.835927  0.400259  1
  Ni  Ni63  1  0.812263  0.520955  0.419759  1
  Ni  Ni64  1  0.810634  0.152716  0.381542  1
  Ni  Ni65  1  0.560473  0.693892  0.422427  1
  Ni  Ni66  1  0.560473  0.296180  0.357217  1
  Ni  Ni67  1  0.810312  0.652716  0.381542  1
  Ni  Ni68  1  0.808682  0.020955  0.419759  1
  Ni  Ni69  1  0.812399  0.234845  0.466341  1
  Ni  Ni70  1  0.814836  0.835927  0.400259  1
  Ni  Ni71  1  0.560473  0.377888  0.443081  1
  Ni  Ni72  1  0.560473  0.980102  0.379097  1
  Ni  Ni73  1  0.806109  0.335927  0.400259  1
  Ni  Ni74  1  0.808546  0.734845  0.466341  1
  Ni  Ni75  1  0.310634  0.652716  0.381542  1
  Ni  Ni76  1  0.312263  0.020955  0.419759  1
  Ni  Ni77  1  0.060473  0.796180  0.357217  1
  Ni  Ni78  1  0.060473  0.193892  0.422427  1
  Ni  Ni79  1  0.308682  0.520955  0.419759  1
  Ni  Ni80  1  0.310312  0.152716  0.381542  1
  Ni  Ni81  1  0.312262  0.102758  0.504242  1
  Ni  Ni82  1  0.314451  0.505705  0.572239  1
  Ni  Ni83  1  0.060473  0.276331  0.507082  1
  Ni  Ni84  1  0.060473  0.644609  0.547909  1
  Ni  Ni85  1  0.306494  0.005705  0.572239  1
  Ni  Ni86  1  0.308684  0.602758  0.504242  1
  Ni  Ni87  1  0.812049  0.315363  0.550466  1
  Ni  Ni88  1  0.814477  0.919935  0.485830  1
  Ni  Ni89  1  0.560473  0.460509  0.528599  1
  Ni  Ni90  1  0.560473  0.061565  0.463530  1
  Ni  Ni91  1  0.806469  0.419935  0.485830  1
  Ni  Ni92  1  0.808896  0.815363  0.550466  1
  Ni  Ni93  1  0.814451  0.005705  0.572239  1
  Ni  Ni94  1  0.812262  0.602758  0.504242  1
  Ni  Ni95  1  0.560473  0.144609  0.547909  1
  Ni  Ni96  1  0.560473  0.776331  0.507082  1
  Ni  Ni97  1  0.808684  0.102758  0.504242  1
  Ni  Ni98  1  0.806494  0.505705  0.572239  1
  Ni  Ni99  1  0.314477  0.419935  0.485830  1
  Ni  Ni100  1  0.312049  0.815363  0.550466  1
  Ni  Ni101  1  0.060473  0.561565  0.463530  1
  Ni  Ni102  1  0.060473  0.960509  0.528599  1
  Ni  Ni103  1  0.308896  0.315363  0.550466  1
  Ni  Ni104  1  0.306469  0.919935  0.485830  1
  Ni  Ni105  1  0.311898  0.898341  0.632497  1
  Ni  Ni106  1  0.310480  0.289490  0.669808  1
  Ni  Ni107  1  0.060473  0.046282  0.617815  1
  Ni  Ni108  1  0.060473  0.453243  0.668892  1
  Ni  Ni109  1  0.310465  0.789490  0.669808  1
  Ni  Ni110  1  0.309047  0.398341  0.632497  1
  Ni  Ni111  1  0.800809  0.109015  0.657133  1
  Ni  Ni112  1  0.813984  0.685236  0.588993  1
  Ni  Ni113  1  0.560473  0.234876  0.631554  1
  Ni  Ni114  1  0.560473  0.860240  0.590669  1
  Ni  Ni115  1  0.806961  0.185236  0.588993  1
  Ni  Ni116  1  0.820137  0.609015  0.657133  1
  Ni  Ni117  1  0.810480  0.789490  0.669808  1
  Ni  Ni118  1  0.811898  0.398341  0.632497  1
  Ni  Ni119  1  0.560473  0.953243  0.668892  1
  Ni  Ni120  1  0.560473  0.546282  0.617815  1
  Ni  Ni121  1  0.809047  0.898341  0.632497  1
  Ni  Ni122  1  0.810465  0.289490  0.669808  1
  Ni  Ni123  1  0.313984  0.185236  0.588993  1
  Ni  Ni124  1  0.300809  0.609015  0.657133  1
  Ni  Ni125  1  0.060473  0.360240  0.590669  1
  Ni  Ni126  1  0.060473  0.734876  0.631554  1
  Ni  Ni127  1  0.320137  0.109015  0.657133  1
  Ni  Ni128  1  0.306961  0.685236  0.588993  1
