# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02787568
_cell_length_b   12.61956345
_cell_length_c   60.31757315
_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   'Al40 Ni120'
_cell_volume   3827.12565553
_cell_formula_units_Z   40
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  0.551176  0.622529  0.242331  1
  Al  Al2  1  0.551176  0.022193  0.296523  1
  Al  Al3  1  1.051176  0.835909  0.280734  1
  Al  Al4  1  1.051176  0.445944  0.228048  1
  Al  Al5  1  1.051176  0.522193  0.296523  1
  Al  Al6  1  1.051176  0.122529  0.242331  1
  Al  Al7  1  0.551176  0.945944  0.228048  1
  Al  Al8  1  0.551176  0.335909  0.280734  1
  Al  Al9  1  0.551176  0.417803  0.350064  1
  Al  Al10  1  0.551176  0.787934  0.380882  1
  Al  Al11  1  1.051176  0.602895  0.365535  1
  Al  Al12  1  1.051176  0.207147  0.311783  1
  Al  Al13  1  1.051176  0.287934  0.380882  1
  Al  Al14  1  1.051176  0.917803  0.350064  1
  Al  Al15  1  0.551176  0.707147  0.311783  1
  Al  Al16  1  0.551176  0.102895  0.365535  1
  Al  Al17  1  0.551176  0.183489  0.434684  1
  Al  Al18  1  0.551176  0.579042  0.488518  1
  Al  Al19  1  1.051176  0.368515  0.450050  1
  Al  Al20  1  1.051176  -0.001539  0.419308  1
  Al  Al21  1  1.051176  0.079042  0.488518  1
  Al  Al22  1  1.051176  0.683489  0.434684  1
  Al  Al23  1  0.551176  0.498461  0.419308  1
  Al  Al24  1  0.551176  0.868515  0.450050  1
  Al  Al25  1  0.551176  0.949088  0.519250  1
  Al  Al26  1  0.551176  0.344575  0.573001  1
  Al  Al27  1  1.051176  0.159661  0.557737  1
  Al  Al28  1  1.051176  0.764045  0.503857  1
  Al  Al29  1  1.051176  0.844575  0.573001  1
  Al  Al30  1  1.051176  0.449088  0.519250  1
  Al  Al31  1  0.551176  0.264045  0.503857  1
  Al  Al32  1  0.551176  0.659661  0.557737  1
  Al  Al33  1  0.551176  0.740678  0.627192  1
  Al  Al34  1  0.551176  0.111427  0.657316  1
  Al  Al35  1  1.051176  0.925841  0.641731  1
  Al  Al36  1  1.051176  0.529843  0.588471  1
  Al  Al37  1  1.051176  0.611427  0.657316  1
  Al  Al38  1  1.051176  0.240678  0.627192  1
  Al  Al39  1  0.551176  0.029843  0.588471  1
  Al  Al40  1  0.551176  0.425841  0.641731  1
  Ni  Ni41  1  0.301536  0.480949  0.262443  1
  Ni  Ni42  1  0.300680  0.877039  0.315141  1
  Ni  Ni43  1  1.051176  0.626452  0.243196  1
  Ni  Ni44  1  1.051176  0.021961  0.296595  1
  Ni  Ni45  1  0.301672  0.377039  0.315141  1
  Ni  Ni46  1  0.300816  0.980949  0.262443  1
  Ni  Ni47  1  0.800046  0.666538  0.277599  1
  Ni  Ni48  1  0.803518  0.294619  0.245689  1
  Ni  Ni49  1  0.551176  0.836933  0.280531  1
  Ni  Ni50  1  0.551176  0.438332  0.227861  1
  Ni  Ni51  1  0.798834  0.794619  0.245689  1
  Ni  Ni52  1  0.802306  0.166538  0.277599  1
  Ni  Ni53  1  0.800680  0.377039  0.315141  1
  Ni  Ni54  1  0.801536  0.980949  0.262443  1
  Ni  Ni55  1  0.551176  0.521961  0.296595  1
  Ni  Ni56  1  0.551176  0.126452  0.243196  1
  Ni  Ni57  1  0.800816  0.480949  0.262443  1
  Ni  Ni58  1  0.801672  0.877039  0.315141  1
  Ni  Ni59  1  0.303518  0.794619  0.245689  1
  Ni  Ni60  1  0.300046  0.166538  0.277599  1
  Ni  Ni61  1  1.051176  0.938332  0.227861  1
  Ni  Ni62  1  1.051176  0.336933  0.280531  1
  Ni  Ni63  1  0.302306  0.666538  0.277599  1
  Ni  Ni64  1  0.298834  0.294619  0.245689  1
  Ni  Ni65  1  0.300778  0.247849  0.346629  1
  Ni  Ni66  1  0.301214  0.643199  0.400103  1
  Ni  Ni67  1  1.051176  0.418415  0.349655  1
  Ni  Ni68  1  1.051176  0.787250  0.381319  1
  Ni  Ni69  1  0.301137  0.143199  0.400103  1
  Ni  Ni70  1  0.301573  0.747849  0.346629  1
  Ni  Ni71  1  0.800729  0.457926  0.384376  1
  Ni  Ni72  1  0.801101  0.062538  0.331012  1
  Ni  Ni73  1  0.551176  0.602914  0.365539  1
  Ni  Ni74  1  0.551176  0.206551  0.312191  1
  Ni  Ni75  1  0.801250  0.562538  0.331012  1
  Ni  Ni76  1  0.801623  0.957926  0.384376  1
  Ni  Ni77  1  0.801214  0.143199  0.400103  1
  Ni  Ni78  1  0.800778  0.747849  0.346629  1
  Ni  Ni79  1  0.551176  0.287250  0.381319  1
  Ni  Ni80  1  0.551176  0.918415  0.349655  1
  Ni  Ni81  1  0.801573  0.247849  0.346629  1
  Ni  Ni82  1  0.801137  0.643199  0.400103  1
  Ni  Ni83  1  0.301101  0.562538  0.331012  1
  Ni  Ni84  1  0.300729  0.957926  0.384376  1
  Ni  Ni85  1  1.051176  0.706551  0.312191  1
  Ni  Ni86  1  1.051176  0.102914  0.365539  1
  Ni  Ni87  1  0.301623  0.457926  0.384376  1
  Ni  Ni88  1  0.301250  0.062538  0.331012  1
  Ni  Ni89  1  0.300742  0.038544  0.453591  1
  Ni  Ni90  1  0.300736  0.409008  0.484970  1
  Ni  Ni91  1  1.051176  0.183490  0.434685  1
  Ni  Ni92  1  1.051176  0.579759  0.488071  1
  Ni  Ni93  1  0.301616  0.909008  0.484970  1
  Ni  Ni94  1  0.301609  0.538544  0.453591  1
  Ni  Ni95  1  0.801226  0.223764  0.469273  1
  Ni  Ni96  1  0.800749  0.828449  0.415781  1
  Ni  Ni97  1  0.551176  0.367801  0.450498  1
  Ni  Ni98  1  0.551176  -0.000833  0.418862  1
  Ni  Ni99  1  0.801602  0.328449  0.415781  1
  Ni  Ni100  1  0.801125  0.723764  0.469273  1
  Ni  Ni101  1  0.800736  0.909008  0.484970  1
  Ni  Ni102  1  0.800742  0.538544  0.453591  1
  Ni  Ni103  1  0.551176  0.079759  0.488071  1
  Ni  Ni104  1  0.551176  0.683490  0.434685  1
  Ni  Ni105  1  0.801609  0.038544  0.453591  1
  Ni  Ni106  1  0.801616  0.409008  0.484970  1
  Ni  Ni107  1  0.300749  0.328449  0.415781  1
  Ni  Ni108  1  0.301226  0.723764  0.469273  1
  Ni  Ni109  1  1.051176  0.499167  0.418862  1
  Ni  Ni110  1  1.051176  0.867801  0.450498  1
  Ni  Ni111  1  0.301125  0.223764  0.469273  1
  Ni  Ni112  1  0.301602  0.828449  0.415781  1
  Ni  Ni113  1  0.301188  0.804318  0.538434  1
  Ni  Ni114  1  0.300494  0.199859  0.592062  1
  Ni  Ni115  1  1.051176  0.948394  0.519696  1
  Ni  Ni116  1  1.051176  0.344583  0.572982  1
  Ni  Ni117  1  0.301857  0.699859  0.592062  1
  Ni  Ni118  1  0.301164  0.304318  0.538434  1
  Ni  Ni119  1  0.800765  0.989624  0.554182  1
  Ni  Ni120  1  0.800756  0.619124  0.522804  1
  Ni  Ni121  1  0.551176  0.160385  0.557298  1
  Ni  Ni122  1  0.551176  0.764028  0.503861  1
  Ni  Ni123  1  0.801595  0.119124  0.522804  1
  Ni  Ni124  1  0.801586  0.489624  0.554182  1
  Ni  Ni125  1  0.800494  0.699859  0.592062  1
  Ni  Ni126  1  0.801188  0.304318  0.538434  1
  Ni  Ni127  1  0.551176  0.844583  0.572982  1
  Ni  Ni128  1  0.551176  0.448394  0.519696  1
  Ni  Ni129  1  0.801164  0.804318  0.538434  1
  Ni  Ni130  1  0.801857  0.199859  0.592062  1
  Ni  Ni131  1  0.300756  0.119124  0.522804  1
  Ni  Ni132  1  0.300765  0.489624  0.554182  1
  Ni  Ni133  1  1.051176  0.264028  0.503861  1
  Ni  Ni134  1  1.051176  0.660385  0.557298  1
  Ni  Ni135  1  0.301586  0.989624  0.554182  1
  Ni  Ni136  1  0.301595  0.619124  0.522804  1
  Ni  Ni137  1  0.300789  0.570590  0.623362  1
  Ni  Ni138  1  0.301446  0.966289  0.676532  1
  Ni  Ni139  1  1.051176  0.741978  0.626489  1
  Ni  Ni140  1  1.051176  0.110997  0.658185  1
  Ni  Ni141  1  0.300905  0.466289  0.676532  1
  Ni  Ni142  1  0.301562  0.070590  0.623362  1
  Ni  Ni143  1  0.802435  0.781337  0.662143  1
  Ni  Ni144  1  0.801451  0.384930  0.607485  1
  Ni  Ni145  1  0.551176  0.924566  0.641830  1
  Ni  Ni146  1  0.551176  0.529087  0.588912  1
  Ni  Ni147  1  0.800901  0.884930  0.607485  1
  Ni  Ni148  1  0.799917  0.281337  0.662143  1
  Ni  Ni149  1  0.801446  0.466289  0.676532  1
  Ni  Ni150  1  0.800789  0.070590  0.623362  1
  Ni  Ni151  1  0.551176  0.610997  0.658185  1
  Ni  Ni152  1  0.551176  0.241978  0.626489  1
  Ni  Ni153  1  0.801562  0.570590  0.623362  1
  Ni  Ni154  1  0.800905  0.966289  0.676532  1
  Ni  Ni155  1  0.301451  0.884930  0.607485  1
  Ni  Ni156  1  0.302435  0.281337  0.662143  1
  Ni  Ni157  1  1.051176  0.029087  0.588912  1
  Ni  Ni158  1  1.051176  0.424566  0.641830  1
  Ni  Ni159  1  0.299917  0.781337  0.662143  1
  Ni  Ni160  1  0.300901  0.384930  0.607485  1
