# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86499150
_cell_length_b   12.30802518
_cell_length_c   48.11993051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al48 Ni144'
_cell_volume   4419.09033988
_cell_formula_units_Z   48
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  0.364372  0.778337  0.331594  1
  Al  Al2  1  0.145865  0.338244  0.292482  1
  Al  Al3  1  0.033596  0.612194  0.274026  1
  Al  Al4  1  0.254964  0.057661  0.309979  1
  Al  Al5  1  0.533596  0.612194  0.274026  1
  Al  Al6  1  0.754964  0.057661  0.309979  1
  Al  Al7  1  0.864372  0.778337  0.331594  1
  Al  Al8  1  0.645865  0.338244  0.292482  1
  Al  Al9  1  0.804163  0.665298  0.407453  1
  Al  Al10  1  0.584644  0.222389  0.369166  1
  Al  Al11  1  0.474828  0.501231  0.350221  1
  Al  Al12  1  0.694525  0.944204  0.388267  1
  Al  Al13  1  0.974828  0.501231  0.350221  1
  Al  Al14  1  0.194525  0.944204  0.388267  1
  Al  Al15  1  0.304163  0.665298  0.407453  1
  Al  Al16  1  0.084644  0.222389  0.369166  1
  Al  Al17  1  0.244051  0.552624  0.484704  1
  Al  Al18  1  0.024227  0.109206  0.446224  1
  Al  Al19  1  0.914308  0.387510  0.427043  1
  Al  Al20  1  0.134109  0.830812  0.465410  1
  Al  Al21  1  0.414308  0.387510  0.427043  1
  Al  Al22  1  0.634109  0.830812  0.465410  1
  Al  Al23  1  0.744051  0.552624  0.484704  1
  Al  Al24  1  0.524227  0.109206  0.446224  1
  Al  Al25  1  0.683644  0.439336  0.561628  1
  Al  Al26  1  0.463811  0.995883  0.523082  1
  Al  Al27  1  0.353846  0.274066  0.503915  1
  Al  Al28  1  0.573777  0.717673  0.542586  1
  Al  Al29  1  0.853846  0.274066  0.503915  1
  Al  Al30  1  0.073777  0.717673  0.542586  1
  Al  Al31  1  0.183644  0.439336  0.561628  1
  Al  Al32  1  0.963811  0.995883  0.523082  1
  Al  Al33  1  0.123768  0.327117  0.639383  1
  Al  Al34  1  0.903537  0.882867  0.599955  1
  Al  Al35  1  0.793463  0.160836  0.581007  1
  Al  Al36  1  0.013297  0.604138  0.619464  1
  Al  Al37  1  0.293463  0.160836  0.581007  1
  Al  Al38  1  0.513297  0.604138  0.619464  1
  Al  Al39  1  0.623768  0.327117  0.639383  1
  Al  Al40  1  0.403537  0.882867  0.599955  1
  Al  Al41  1  0.559799  0.205709  0.714412  1
  Al  Al42  1  0.343066  0.769320  0.676362  1
  Al  Al43  1  0.232339  0.046059  0.658501  1
  Al  Al44  1  0.454500  0.493952  0.694809  1
  Al  Al45  1  0.732339  0.046059  0.658501  1
  Al  Al46  1  0.954500  0.493952  0.694809  1
  Al  Al47  1  0.059799  0.205709  0.714412  1
  Al  Al48  1  0.843066  0.769320  0.676362  1
  Ni  Ni49  1  0.670204  0.890722  0.339906  1
  Ni  Ni50  1  0.448238  0.443641  0.302524  1
  Ni  Ni51  1  0.254630  0.556760  0.309435  1
  Ni  Ni52  1  0.033987  0.112992  0.273619  1
  Ni  Ni53  1  0.948459  0.944331  0.302785  1
  Ni  Ni54  1  0.170362  0.391286  0.340393  1
  Ni  Ni55  1  0.342842  0.731511  0.282753  1
  Ni  Ni56  1  0.559486  0.167872  0.321398  1
  Ni  Ni57  1  0.147002  0.840528  0.290843  1
  Ni  Ni58  1  0.364289  0.278330  0.331273  1
  Ni  Ni59  1  0.060466  0.669618  0.321187  1
  Ni  Ni60  1  0.842918  0.231667  0.282434  1
  Ni  Ni61  1  0.842842  0.731511  0.282753  1
  Ni  Ni62  1  0.059486  0.167872  0.321398  1
  Ni  Ni63  1  0.647002  0.840528  0.290843  1
  Ni  Ni64  1  0.864289  0.278330  0.331273  1
  Ni  Ni65  1  0.560466  0.669618  0.321187  1
  Ni  Ni66  1  0.342918  0.231667  0.282434  1
  Ni  Ni67  1  0.170204  0.890722  0.339906  1
  Ni  Ni68  1  0.948238  0.443641  0.302524  1
  Ni  Ni69  1  0.754630  0.556760  0.309435  1
  Ni  Ni70  1  0.533987  0.112992  0.273619  1
  Ni  Ni71  1  0.448459  0.944331  0.302785  1
  Ni  Ni72  1  0.670362  0.391286  0.340393  1
  Ni  Ni73  1  0.109337  0.776531  0.417217  1
  Ni  Ni74  1  0.889640  0.333431  0.379046  1
  Ni  Ni75  1  0.694772  0.444656  0.388439  1
  Ni  Ni76  1  0.474354  1.000055  0.350451  1
  Ni  Ni77  1  0.389390  0.833108  0.379240  1
  Ni  Ni78  1  0.609329  0.276587  0.417241  1
  Ni  Ni79  1  0.779042  0.610363  0.358937  1
  Ni  Ni80  1  0.999371  0.054889  0.398211  1
  Ni  Ni81  1  0.584611  0.722437  0.369035  1
  Ni  Ni82  1  0.804247  0.165502  0.407488  1
  Ni  Ni83  1  0.499471  0.555060  0.398208  1
  Ni  Ni84  1  0.279258  0.110675  0.359034  1
  Ni  Ni85  1  0.279042  0.610363  0.358937  1
  Ni  Ni86  1  0.499371  0.054889  0.398211  1
  Ni  Ni87  1  0.084611  0.722437  0.369035  1
  Ni  Ni88  1  0.304247  0.165502  0.407488  1
  Ni  Ni89  1  0.999471  0.555060  0.398208  1
  Ni  Ni90  1  0.779258  0.110675  0.359034  1
  Ni  Ni91  1  0.609337  0.776531  0.417217  1
  Ni  Ni92  1  0.389640  0.333431  0.379046  1
  Ni  Ni93  1  0.194772  0.444656  0.388439  1
  Ni  Ni94  1  0.974354  1.000055  0.350451  1
  Ni  Ni95  1  0.889390  0.833108  0.379240  1
  Ni  Ni96  1  0.109329  0.276587  0.417241  1
  Ni  Ni97  1  0.549000  0.663455  0.494377  1
  Ni  Ni98  1  0.329087  0.219842  0.455752  1
  Ni  Ni99  1  0.134105  0.330825  0.465368  1
  Ni  Ni100  1  0.914279  0.887423  0.427118  1
  Ni  Ni101  1  0.829061  0.719811  0.455750  1
  Ni  Ni102  1  0.049002  0.163449  0.494293  1
  Ni  Ni103  1  0.219353  0.498512  0.436574  1
  Ni  Ni104  1  0.439073  0.941689  0.475074  1
  Ni  Ni105  1  0.024238  0.609248  0.446262  1
  Ni  Ni106  1  0.244005  0.052512  0.484706  1
  Ni  Ni107  1  0.939044  0.441681  0.475117  1
  Ni  Ni108  1  0.719312  0.998425  0.436503  1
  Ni  Ni109  1  0.719353  0.498512  0.436574  1
  Ni  Ni110  1  0.939073  0.941689  0.475074  1
  Ni  Ni111  1  0.524238  0.609248  0.446262  1
  Ni  Ni112  1  0.744005  0.052512  0.484706  1
  Ni  Ni113  1  0.439044  0.441681  0.475117  1
  Ni  Ni114  1  0.219312  0.998425  0.436503  1
  Ni  Ni115  1  0.049000  0.663455  0.494377  1
  Ni  Ni116  1  0.829087  0.219842  0.455752  1
  Ni  Ni117  1  0.634105  0.330825  0.465368  1
  Ni  Ni118  1  0.414279  0.887423  0.427118  1
  Ni  Ni119  1  0.329061  0.719811  0.455750  1
  Ni  Ni120  1  0.549002  0.163449  0.494293  1
  Ni  Ni121  1  0.988561  0.550114  0.571325  1
  Ni  Ni122  1  0.768687  0.106610  0.532877  1
  Ni  Ni123  1  0.573838  0.217840  0.542406  1
  Ni  Ni124  1  0.353905  0.774192  0.503881  1
  Ni  Ni125  1  0.268864  0.606920  0.532827  1
  Ni  Ni126  1  0.488643  0.050164  0.571030  1
  Ni  Ni127  1  0.658895  0.385077  0.513509  1
  Ni  Ni128  1  0.878723  0.828442  0.551961  1
  Ni  Ni129  1  0.463843  0.495932  0.523214  1
  Ni  Ni130  1  0.683462  0.938902  0.561815  1
  Ni  Ni131  1  0.378597  0.328297  0.552028  1
  Ni  Ni132  1  0.158788  0.884922  0.513591  1
  Ni  Ni133  1  0.158895  0.385077  0.513509  1
  Ni  Ni134  1  0.378723  0.828442  0.551961  1
  Ni  Ni135  1  0.963843  0.495932  0.523214  1
  Ni  Ni136  1  0.183462  0.938902  0.561815  1
  Ni  Ni137  1  0.878597  0.328297  0.552028  1
  Ni  Ni138  1  0.658788  0.884922  0.513591  1
  Ni  Ni139  1  0.488561  0.550114  0.571325  1
  Ni  Ni140  1  0.268687  0.106610  0.532877  1
  Ni  Ni141  1  0.073838  0.217840  0.542406  1
  Ni  Ni142  1  0.853905  0.774192  0.503881  1
  Ni  Ni143  1  0.768864  0.606920  0.532827  1
  Ni  Ni144  1  0.988643  0.050164  0.571030  1
  Ni  Ni145  1  0.428013  0.436322  0.647826  1
  Ni  Ni146  1  0.208171  0.993147  0.610051  1
  Ni  Ni147  1  0.013477  0.104598  0.618796  1
  Ni  Ni148  1  0.793525  0.661028  0.580954  1
  Ni  Ni149  1  0.708179  0.493015  0.609823  1
  Ni  Ni150  1  0.928882  0.937935  0.647765  1
  Ni  Ni151  1  0.098818  0.272396  0.590664  1
  Ni  Ni152  1  0.318465  0.715444  0.628894  1
  Ni  Ni153  1  0.903320  0.382284  0.600024  1
  Ni  Ni154  1  0.123892  0.827291  0.639458  1
  Ni  Ni155  1  0.818023  0.214770  0.629212  1
  Ni  Ni156  1  0.598467  0.771913  0.590889  1
  Ni  Ni157  1  0.598818  0.272396  0.590664  1
  Ni  Ni158  1  0.818465  0.715444  0.628894  1
  Ni  Ni159  1  0.403320  0.382284  0.600024  1
  Ni  Ni160  1  0.623892  0.827291  0.639458  1
  Ni  Ni161  1  0.318023  0.214770  0.629212  1
  Ni  Ni162  1  0.098467  0.771913  0.590889  1
  Ni  Ni163  1  0.928013  0.436322  0.647826  1
  Ni  Ni164  1  0.708171  0.993147  0.610051  1
  Ni  Ni165  1  0.513477  0.104598  0.618796  1
  Ni  Ni166  1  0.293525  0.661028  0.580954  1
  Ni  Ni167  1  0.208179  0.493015  0.609823  1
  Ni  Ni168  1  0.428882  0.937935  0.647765  1
  Ni  Ni169  1  0.869572  0.325808  0.724506  1
  Ni  Ni170  1  0.647134  0.878700  0.688964  1
  Ni  Ni171  1  0.454125  0.993088  0.695597  1
  Ni  Ni172  1  0.232611  0.546667  0.657992  1
  Ni  Ni173  1  0.148253  0.381038  0.688820  1
  Ni  Ni174  1  0.368268  0.823356  0.724042  1
  Ni  Ni175  1  0.538196  0.158445  0.666491  1
  Ni  Ni176  1  0.756492  0.598571  0.706475  1
  Ni  Ni177  1  0.342543  0.268408  0.677059  1
  Ni  Ni178  1  0.558911  0.704106  0.716347  1
  Ni  Ni179  1  0.256078  0.097662  0.707227  1
  Ni  Ni180  1  0.038902  0.660014  0.667148  1
  Ni  Ni181  1  0.038196  0.158445  0.666491  1
  Ni  Ni182  1  0.256492  0.598571  0.706475  1
  Ni  Ni183  1  0.842543  0.268408  0.677059  1
  Ni  Ni184  1  0.058911  0.704106  0.716347  1
  Ni  Ni185  1  0.756078  0.097662  0.707227  1
  Ni  Ni186  1  0.538902  0.660014  0.667148  1
  Ni  Ni187  1  0.369572  0.325808  0.724506  1
  Ni  Ni188  1  0.147134  0.878700  0.688964  1
  Ni  Ni189  1  0.954125  0.993088  0.695597  1
  Ni  Ni190  1  0.732611  0.546667  0.657992  1
  Ni  Ni191  1  0.648253  0.381038  0.688820  1
  Ni  Ni192  1  0.868268  0.823356  0.724042  1
