# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92789155
_cell_length_b   10.66098353
_cell_length_c   47.45753609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.03210424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al66 Ni44'
_cell_volume   3313.521085
_cell_formula_units_Z   22
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  0.628063  0.758382  0.273103  1
  Al  Al2  1  0.842200  0.219615  0.290910  1
  Al  Al3  1  0.436745  0.054286  0.286617  1
  Al  Al4  1  0.667962  0.536488  0.305899  1
  Al  Al5  1  0.030512  0.906218  0.283943  1
  Al  Al6  1  0.254245  0.391785  0.300229  1
  Al  Al7  1  0.069829  0.687645  0.311690  1
  Al  Al8  1  0.320873  0.180956  0.335098  1
  Al  Al9  1  0.904894  0.015983  0.327609  1
  Al  Al10  1  0.147609  0.494782  0.347525  1
  Al  Al11  1  0.500831  0.871745  0.322486  1
  Al  Al12  1  0.737464  0.350539  0.341803  1
  Al  Al13  1  0.556176  0.657159  0.355282  1
  Al  Al14  1  0.802690  0.144298  0.375917  1
  Al  Al15  1  0.385432  0.976169  0.368136  1
  Al  Al16  1  0.625061  0.455571  0.389640  1
  Al  Al17  1  0.980161  0.829904  0.362427  1
  Al  Al18  1  0.216107  0.309969  0.382710  1
  Al  Al19  1  0.040601  0.622612  0.396817  1
  Al  Al20  1  0.281331  0.103111  0.417951  1
  Al  Al21  1  0.864748  0.935592  0.410621  1
  Al  Al22  1  0.105407  0.415849  0.431547  1
  Al  Al23  1  0.454375  0.789682  0.403580  1
  Al  Al24  1  0.696543  0.269990  0.425212  1
  Al  Al25  1  0.520736  0.583488  0.438768  1
  Al  Al26  1  0.760626  0.063132  0.459537  1
  Al  Al27  1  0.346212  0.896377  0.452299  1
  Al  Al28  1  0.585615  0.376607  0.473381  1
  Al  Al29  1  0.935835  0.750227  0.445991  1
  Al  Al30  1  0.175905  0.230466  0.466904  1
  Al  Al31  1  1.000833  0.543751  0.480564  1
  Al  Al32  1  0.240792  0.023887  0.501488  1
  Al  Al33  1  0.825422  0.856704  0.494261  1
  Al  Al34  1  0.065653  0.336973  0.515210  1
  Al  Al35  1  0.415626  0.710813  0.487789  1
  Al  Al36  1  0.656114  0.191149  0.508742  1
  Al  Al37  1  0.480639  0.504097  0.522478  1
  Al  Al38  1  0.720990  0.984778  0.543404  1
  Al  Al39  1  0.305728  0.817370  0.536061  1
  Al  Al40  1  0.545723  0.297583  0.557094  1
  Al  Al41  1  0.896007  0.671245  0.529653  1
  Al  Al42  1  0.135522  0.151559  0.550607  1
  Al  Al43  1  0.960436  0.464044  0.564343  1
  Al  Al44  1  0.200602  0.944912  0.585039  1
  Al  Al45  1  0.785047  0.777858  0.577767  1
  Al  Al46  1  0.026859  0.258030  0.599420  1
  Al  Al47  1  0.375819  0.631809  0.571528  1
  Al  Al48  1  0.616830  0.112418  0.592439  1
  Al  Al49  1  0.440995  0.425024  0.606107  1
  Al  Al50  1  0.679533  0.904273  0.626924  1
  Al  Al51  1  0.265319  0.738061  0.620255  1
  Al  Al52  1  0.503715  0.217941  0.641546  1
  Al  Al53  1  0.856581  0.591921  0.613433  1
  Al  Al54  1  0.097555  0.071968  0.634723  1
  Al  Al55  1  0.923538  0.389062  0.647743  1
  Al  Al56  1  0.162039  0.868627  0.667754  1
  Al  Al57  1  0.743797  0.697018  0.660943  1
  Al  Al58  1  0.979839  0.175223  0.679357  1
  Al  Al59  1  0.334050  0.553004  0.655421  1
  Al  Al60  1  0.577092  0.031982  0.675388  1
  Al  Al61  1  0.408854  0.358401  0.691023  1
  Al  Al62  1  0.637519  0.824382  0.711659  1
  Al  Al63  1  0.226642  0.657262  0.702009  1
  Al  Al64  1  0.447092  0.142605  0.718642  1
  Al  Al65  1  0.813441  0.513945  0.696390  1
  Al  Al66  1  0.046508  0.993288  0.715630  1
  Ni  Ni67  1  0.314668  0.812866  0.277645  1
  Ni  Ni68  1  0.538406  0.294050  0.297129  1
  Ni  Ni69  1  0.148181  0.148387  0.290798  1
  Ni  Ni70  1  0.386714  0.633944  0.310006  1
  Ni  Ni71  1  0.783646  0.775139  0.318964  1
  Ni  Ni72  1  0.022197  0.255240  0.336836  1
  Ni  Ni73  1  0.623998  0.112956  0.331222  1
  Ni  Ni74  1  0.858160  0.589394  0.352144  1
  Ni  Ni75  1  0.259756  0.734036  0.357507  1
  Ni  Ni76  1  0.504434  0.216056  0.379466  1
  Ni  Ni77  1  0.098069  0.069068  0.373229  1
  Ni  Ni78  1  0.336397  0.548435  0.393892  1
  Ni  Ni79  1  0.742737  0.696163  0.400051  1
  Ni  Ni80  1  0.984080  0.176433  0.420910  1
  Ni  Ni81  1  0.578092  0.029482  0.414347  1
  Ni  Ni82  1  0.818124  0.509895  0.435551  1
  Ni  Ni83  1  0.223283  0.656697  0.441801  1
  Ni  Ni84  1  0.463524  0.136748  0.462905  1
  Ni  Ni85  1  0.058325  0.989908  0.456505  1
  Ni  Ni86  1  0.298277  0.470292  0.477446  1
  Ni  Ni87  1  0.703072  0.616957  0.483780  1
  Ni  Ni88  1  0.943078  0.097166  0.504626  1
  Ni  Ni89  1  0.538491  0.950686  0.498311  1
  Ni  Ni90  1  0.778375  0.430865  0.519288  1
  Ni  Ni91  1  0.183075  0.577421  0.525619  1
  Ni  Ni92  1  0.423383  0.057971  0.546479  1
  Ni  Ni93  1  0.018176  0.911154  0.540089  1
  Ni  Ni94  1  0.257975  0.391075  0.561182  1
  Ni  Ni95  1  0.663494  0.538030  0.567471  1
  Ni  Ni96  1  0.903841  0.018527  0.588535  1
  Ni  Ni97  1  0.497538  0.871444  0.582013  1
  Ni  Ni98  1  0.737984  0.351136  0.603152  1
  Ni  Ni99  1  0.144731  0.499060  0.609247  1
  Ni  Ni100  1  0.384743  0.979581  0.629751  1
  Ni  Ni101  1  0.977259  0.831804  0.623463  1
  Ni  Ni102  1  0.223195  0.314199  0.645200  1
  Ni  Ni103  1  0.622392  0.458225  0.650775  1
  Ni  Ni104  1  0.856769  0.933815  0.671482  1
  Ni  Ni105  1  0.459749  0.793265  0.665846  1
  Ni  Ni106  1  0.703843  0.274363  0.685786  1
  Ni  Ni107  1  0.092919  0.413708  0.692921  1
  Ni  Ni108  1  0.333897  0.899415  0.712067  1
  Ni  Ni109  1  0.944107  0.755005  0.705529  1
  Ni  Ni110  1  0.150828  0.234606  0.724604  1
