# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01848001
_cell_length_b   7.83098430
_cell_length_c   54.55829616
_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   2571.36645753
_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  0.059397  0.245789  0.305245  1
  Al  Al2  1  0.210601  0.457409  0.344826  1
  Al  Al3  1  0.210601  0.034169  0.344826  1
  Al  Al4  1  0.365402  0.510719  0.298618  1
  Al  Al5  1  0.733750  0.466282  0.325735  1
  Al  Al6  1  0.897099  0.939946  0.279815  1
  Al  Al7  1  0.733750  0.025296  0.325735  1
  Al  Al8  1  0.897099  0.551632  0.279815  1
  Al  Al9  1  0.365402  0.980859  0.298618  1
  Al  Al10  1  0.644359  0.245789  0.283165  1
  Al  Al11  1  0.039636  0.745789  0.320833  1
  Al  Al12  1  0.514585  0.745789  0.347877  1
  Al  Al13  1  0.032049  0.245789  0.394789  1
  Al  Al14  1  0.201347  0.458036  0.435984  1
  Al  Al15  1  0.201347  0.033542  0.435984  1
  Al  Al16  1  0.339164  0.533124  0.390389  1
  Al  Al17  1  0.704588  0.458381  0.417086  1
  Al  Al18  1  0.845087  0.955669  0.371748  1
  Al  Al19  1  0.704588  0.033197  0.417086  1
  Al  Al20  1  0.845087  0.535909  0.371748  1
  Al  Al21  1  0.339164  0.958454  0.390389  1
  Al  Al22  1  0.543212  0.245789  0.368813  1
  Al  Al23  1  1.011729  0.745789  0.412666  1
  Al  Al24  1  0.508865  0.745789  0.440044  1
  Al  Al25  1  0.027691  0.245789  0.485874  1
  Al  Al26  1  0.200179  0.457530  0.527100  1
  Al  Al27  1  0.200179  0.034048  0.527100  1
  Al  Al28  1  0.335274  0.533693  0.481544  1
  Al  Al29  1  0.700777  0.457885  0.508352  1
  Al  Al30  1  0.835873  0.957530  0.462797  1
  Al  Al31  1  0.700777  0.033693  0.508352  1
  Al  Al32  1  0.835873  0.534048  0.462797  1
  Al  Al33  1  0.335274  0.957885  0.481544  1
  Al  Al34  1  0.529342  0.245789  0.458610  1
  Al  Al35  1  1.008361  0.745789  0.504022  1
  Al  Al36  1  0.506709  0.745789  0.531287  1
  Al  Al37  1  0.024323  0.245789  0.577231  1
  Al  Al38  1  0.190965  0.455669  0.618149  1
  Al  Al39  1  0.190965  0.035909  0.618149  1
  Al  Al40  1  0.331464  0.533197  0.572811  1
  Al  Al41  1  0.696888  0.458454  0.599508  1
  Al  Al42  1  0.834704  0.958036  0.553912  1
  Al  Al43  1  0.696888  0.033124  0.599508  1
  Al  Al44  1  0.834704  0.533542  0.553912  1
  Al  Al45  1  0.331464  0.958381  0.572811  1
  Al  Al46  1  0.527187  0.245789  0.549853  1
  Al  Al47  1  1.004003  0.745789  0.595108  1
  Al  Al48  1  0.492840  0.745789  0.621083  1
  Al  Al49  1  0.996415  0.245789  0.669064  1
  Al  Al50  1  0.138952  0.439946  0.710081  1
  Al  Al51  1  0.138952  0.051632  0.710081  1
  Al  Al52  1  0.302301  0.525296  0.664162  1
  Al  Al53  1  0.670650  0.480859  0.691279  1
  Al  Al54  1  0.825451  0.957409  0.645070  1
  Al  Al55  1  0.670650  0.010719  0.691279  1
  Al  Al56  1  0.825451  0.534169  0.645070  1
  Al  Al57  1  0.302301  0.966282  0.664162  1
  Al  Al58  1  0.521467  0.245789  0.642019  1
  Al  Al59  1  0.976655  0.745789  0.684651  1
  Al  Al60  1  0.391692  0.745789  0.706732  1
  Ni  Ni61  1  0.912464  0.245789  0.350609  1
  Ni  Ni62  1  0.443138  0.245789  0.323542  1
  Ni  Ni63  1  0.230366  0.745789  0.276228  1
  Ni  Ni64  1  0.639047  0.745789  0.303885  1
  Ni  Ni65  1  0.906964  0.245789  0.441645  1
  Ni  Ni66  1  0.408978  0.245789  0.412001  1
  Ni  Ni67  1  0.141533  0.745789  0.365673  1
  Ni  Ni68  1  0.631957  0.745789  0.395723  1
  Ni  Ni69  1  0.905044  0.245789  0.532827  1
  Ni  Ni70  1  0.406199  0.245789  0.502733  1
  Ni  Ni71  1  0.131007  0.745789  0.457070  1
  Ni  Ni72  1  0.629853  0.745789  0.487164  1
  Ni  Ni73  1  0.894518  0.245789  0.624224  1
  Ni  Ni74  1  0.404094  0.245789  0.594173  1
  Ni  Ni75  1  0.129088  0.745789  0.548251  1
  Ni  Ni76  1  0.627074  0.745789  0.577895  1
  Ni  Ni77  1  0.805685  0.245789  0.713669  1
  Ni  Ni78  1  0.397004  0.245789  0.686012  1
  Ni  Ni79  1  0.123587  0.745789  0.639288  1
  Ni  Ni80  1  0.592914  0.745789  0.666355  1
