# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94326885
_cell_length_b   14.31060120
_cell_length_c   50.14393474
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.95207005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2802.4402105
_cell_formula_units_Z   18
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  0.829748  0.650493  0.290198  1
  Al  Al2  1  0.249582  0.490245  0.345420  1
  Al  Al3  1  0.540770  0.072375  0.318383  1
  Al  Al4  1  0.246430  0.484176  0.289795  1
  Al  Al5  1  0.678412  0.347536  0.330422  1
  Al  Al6  1  0.969946  0.930679  0.306757  1
  Al  Al7  1  0.817934  0.626898  0.351024  1
  Al  Al8  1  0.110861  0.212464  0.327784  1
  Al  Al9  1  0.400875  0.792669  0.301811  1
  Al  Al10  1  0.950401  0.891707  0.364280  1
  Al  Al11  1  0.363645  0.718256  0.413193  1
  Al  Al12  1  0.654960  0.300900  0.387889  1
  Al  Al13  1  0.380873  0.752566  0.355884  1
  Al  Al14  1  0.792876  0.576686  0.403724  1
  Al  Al15  1  0.086094  0.163066  0.379730  1
  Al  Al16  1  0.933890  0.858809  0.422009  1
  Al  Al17  1  0.226573  0.444319  0.399274  1
  Al  Al18  1  0.521178  0.033378  0.374075  1
  Al  Al19  1  0.068814  0.128592  0.436715  1
  Al  Al20  1  0.480824  0.952616  0.484381  1
  Al  Al21  1  0.774716  0.540435  0.460515  1
  Al  Al22  1  0.498430  0.987699  0.427447  1
  Al  Al23  1  0.910500  0.811875  0.475209  1
  Al  Al24  1  0.204061  0.399004  0.451527  1
  Al  Al25  1  0.051221  0.093520  0.493677  1
  Al  Al26  1  0.345336  0.681757  0.469880  1
  Al  Al27  1  0.639329  0.269719  0.445624  1
  Al  Al28  1  0.186666  0.364331  0.508243  1
  Al  Al29  1  0.598676  0.188354  0.555909  1
  Al  Al30  1  0.892774  0.776511  0.532109  1
  Al  Al31  1  0.616270  0.223427  0.498947  1
  Al  Al32  1  0.028162  0.047228  0.547000  1
  Al  Al33  1  0.322154  0.635190  0.522743  1
  Al  Al34  1  0.169060  0.329247  0.565177  1
  Al  Al35  1  0.463429  0.917943  0.541096  1
  Al  Al36  1  0.756990  0.505072  0.517414  1
  Al  Al37  1  0.303846  0.598691  0.579431  1
  Al  Al38  1  0.717089  0.425240  0.628344  1
  Al  Al39  1  0.012530  0.016046  0.604734  1
  Al  Al40  1  0.733600  0.458138  0.570614  1
  Al  Al41  1  0.146312  0.283569  0.618548  1
  Al  Al42  1  0.440917  0.872627  0.593350  1
  Al  Al43  1  0.286617  0.564381  0.636740  1
  Al  Al44  1  0.581396  0.153881  0.612893  1
  Al  Al45  1  0.874615  0.740260  0.588900  1
  Al  Al46  1  0.417908  0.826701  0.647204  1
  Al  Al47  1  0.837743  0.666454  0.702426  1
  Al  Al48  1  0.126720  0.244572  0.674241  1
  Al  Al49  1  0.849557  0.690049  0.641599  1
  Al  Al50  1  0.266615  0.524278  0.690812  1
  Al  Al51  1  0.556629  0.104483  0.664839  1
  Al  Al52  1  0.421061  0.832771  0.702828  1
  Al  Al53  1  0.697545  0.386268  0.685866  1
  Al  Al54  1  0.989078  0.969411  0.662201  1
  Ni  Ni55  1  0.320598  0.632140  0.320046  1
  Ni  Ni56  1  0.616190  0.222941  0.296007  1
  Ni  Ni57  1  0.027273  0.045434  0.344142  1
  Ni  Ni58  1  0.758964  0.509107  0.317379  1
  Ni  Ni59  1  0.055242  0.101311  0.291013  1
  Ni  Ni60  1  0.462371  0.915642  0.337700  1
  Ni  Ni61  1  0.439852  0.870610  0.391656  1
  Ni  Ni62  1  0.732975  0.457038  0.369346  1
  Ni  Ni63  1  0.145042  0.281045  0.415572  1
  Ni  Ni64  1  0.875140  0.741224  0.386548  1
  Ni  Ni65  1  0.169574  0.330100  0.362273  1
  Ni  Ni66  1  0.579889  0.150746  0.409938  1
  Ni  Ni67  1  0.557376  0.105722  0.463414  1
  Ni  Ni68  1  0.851626  0.694234  0.439748  1
  Ni  Ni69  1  0.263217  0.517434  0.487249  1
  Ni  Ni70  1  0.992400  0.975757  0.457713  1
  Ni  Ni71  1  0.286678  0.564366  0.433970  1
  Ni  Ni72  1  0.698104  0.387198  0.481485  1
  Ni  Ni73  1  0.675090  0.341190  0.534911  1
  Ni  Ni74  1  0.969386  0.929749  0.511139  1
  Ni  Ni75  1  0.380812  0.752581  0.558654  1
  Ni  Ni76  1  0.110114  0.211224  0.529210  1
  Ni  Ni77  1  0.404273  0.799513  0.505374  1
  Ni  Ni78  1  0.815864  0.622713  0.552876  1
  Ni  Ni79  1  0.792350  0.575723  0.606076  1
  Ni  Ni80  1  0.087601  0.166200  0.582686  1
  Ni  Ni81  1  0.497917  0.986847  0.630350  1
  Ni  Ni82  1  0.227639  0.446337  0.600968  1
  Ni  Ni83  1  0.522449  0.035901  0.577052  1
  Ni  Ni84  1  0.934516  0.859909  0.623278  1
  Ni  Ni85  1  0.908526  0.807840  0.675245  1
  Ni  Ni86  1  0.205119  0.401305  0.654924  1
  Ni  Ni87  1  0.612248  0.215635  0.701611  1
  Ni  Ni88  1  0.346892  0.684806  0.672578  1
  Ni  Ni89  1  0.640217  0.271513  0.648481  1
  Ni  Ni90  1  0.051301  0.094006  0.696617  1
