# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40468600
_cell_length_b   21.95365946
_cell_length_c   51.53978582
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr120 Ni60'
_cell_volume   7246.81834427
_cell_formula_units_Z   60
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
  Zr  Zr1  1  0.342089  0.818434  0.333360  1
  Zr  Zr2  1  0.318069  0.445216  0.301321  1
  Zr  Zr3  1  0.311788  0.072307  0.274285  1
  Zr  Zr4  1  0.191825  0.945216  0.301321  1
  Zr  Zr5  1  0.198106  0.572307  0.274285  1
  Zr  Zr6  1  0.167805  0.318434  0.333360  1
  Zr  Zr7  1  0.339600  0.045929  0.337832  1
  Zr  Zr8  1  0.339985  0.673537  0.309274  1
  Zr  Zr9  1  0.328310  0.297794  0.278906  1
  Zr  Zr10  1  0.181583  0.797794  0.278906  1
  Zr  Zr11  1  0.170294  0.545929  0.337832  1
  Zr  Zr12  1  0.169908  0.173537  0.309274  1
  Zr  Zr13  1  0.841263  0.004496  0.348103  1
  Zr  Zr14  1  0.830019  0.630034  0.315185  1
  Zr  Zr15  1  0.818682  0.260963  0.287114  1
  Zr  Zr16  1  0.691212  0.760963  0.287114  1
  Zr  Zr17  1  0.668630  0.504496  0.348103  1
  Zr  Zr18  1  0.679874  0.130034  0.315185  1
  Zr  Zr19  1  0.844537  0.859904  0.323521  1
  Zr  Zr20  1  0.820208  0.482957  0.292375  1
  Zr  Zr21  1  0.829565  0.230913  0.353406  1
  Zr  Zr22  1  0.689685  0.982957  0.292375  1
  Zr  Zr23  1  0.680329  0.730913  0.353406  1
  Zr  Zr24  1  0.665357  0.359904  0.323521  1
  Zr  Zr25  1  0.335879  0.933314  0.424240  1
  Zr  Zr26  1  0.333268  0.562121  0.393862  1
  Zr  Zr27  1  0.335027  0.190076  0.363920  1
  Zr  Zr28  1  0.176625  0.062121  0.393862  1
  Zr  Zr29  1  0.174866  0.690076  0.363920  1
  Zr  Zr30  1  0.174015  0.433314  0.424240  1
  Zr  Zr31  1  0.334550  0.160455  0.429733  1
  Zr  Zr32  1  0.337196  0.789012  0.399214  1
  Zr  Zr33  1  0.330832  0.417964  0.368709  1
  Zr  Zr34  1  0.179061  0.917964  0.368709  1
  Zr  Zr35  1  0.175344  0.660455  0.429733  1
  Zr  Zr36  1  0.172698  0.289012  0.399214  1
  Zr  Zr37  1  0.834404  0.119020  0.439395  1
  Zr  Zr38  1  0.835453  0.747578  0.409132  1
  Zr  Zr39  1  0.831454  0.376204  0.378967  1
  Zr  Zr40  1  0.678439  0.876204  0.378967  1
  Zr  Zr41  1  0.675489  0.619020  0.439395  1
  Zr  Zr42  1  0.674440  0.247578  0.409132  1
  Zr  Zr43  1  0.836457  0.974969  0.414369  1
  Zr  Zr44  1  0.835417  0.603039  0.383961  1
  Zr  Zr45  1  0.833300  0.346224  0.444897  1
  Zr  Zr46  1  0.674476  0.103039  0.383961  1
  Zr  Zr47  1  0.676594  0.846224  0.444897  1
  Zr  Zr48  1  0.673436  0.474969  0.414369  1
  Zr  Zr49  1  0.334942  0.047492  0.515304  1
  Zr  Zr50  1  0.334795  0.676107  0.485009  1
  Zr  Zr51  1  0.333489  0.304713  0.454616  1
  Zr  Zr52  1  0.175098  0.176107  0.485009  1
  Zr  Zr53  1  0.176404  0.804713  0.454616  1
  Zr  Zr54  1  0.174952  0.547492  0.515304  1
  Zr  Zr55  1  0.333675  0.274674  0.520771  1
  Zr  Zr56  1  0.335404  0.903274  0.490374  1
  Zr  Zr57  1  0.334131  0.531871  0.460020  1
  Zr  Zr58  1  0.175762  0.031871  0.460020  1
  Zr  Zr59  1  0.176219  0.774674  0.520771  1
  Zr  Zr60  1  0.174489  0.403274  0.490374  1
  Zr  Zr61  1  0.834131  0.233196  0.530520  1
  Zr  Zr62  1  0.835404  0.861794  0.500165  1
  Zr  Zr63  1  0.833675  0.490394  0.469769  1
  Zr  Zr64  1  0.676219  0.990394  0.469769  1
  Zr  Zr65  1  0.675762  0.733196  0.530520  1
  Zr  Zr66  1  0.674489  0.361794  0.500165  1
  Zr  Zr67  1  0.834795  0.088961  0.505531  1
  Zr  Zr68  1  0.834942  0.717576  0.475236  1
  Zr  Zr69  1  0.833489  0.460354  0.535924  1
  Zr  Zr70  1  0.674952  0.217576  0.475236  1
  Zr  Zr71  1  0.676404  0.960354  0.535924  1
  Zr  Zr72  1  0.675098  0.588961  0.505531  1
  Zr  Zr73  1  0.335417  0.162029  0.606579  1
  Zr  Zr74  1  0.336457  0.790098  0.576171  1
  Zr  Zr75  1  0.333300  0.418843  0.545643  1
  Zr  Zr76  1  0.173436  0.290098  0.576171  1
  Zr  Zr77  1  0.176594  0.918843  0.545643  1
  Zr  Zr78  1  0.174476  0.662029  0.606579  1
  Zr  Zr79  1  0.331454  0.388864  0.611573  1
  Zr  Zr80  1  0.335453  0.017490  0.581408  1
  Zr  Zr81  1  0.334404  0.646047  0.551145  1
  Zr  Zr82  1  0.175489  0.146047  0.551145  1
  Zr  Zr83  1  0.178439  0.888864  0.611573  1
  Zr  Zr84  1  0.174440  0.517490  0.581408  1
  Zr  Zr85  1  0.830832  0.347104  0.621831  1
  Zr  Zr86  1  0.837196  0.976055  0.591326  1
  Zr  Zr87  1  0.834550  0.604613  0.560807  1
  Zr  Zr88  1  0.675344  0.104613  0.560807  1
  Zr  Zr89  1  0.679061  0.847104  0.621831  1
  Zr  Zr90  1  0.672698  0.476055  0.591326  1
  Zr  Zr91  1  0.833268  0.202946  0.596678  1
  Zr  Zr92  1  0.835879  0.831754  0.566300  1
  Zr  Zr93  1  0.835027  0.574991  0.626620  1
  Zr  Zr94  1  0.674015  0.331754  0.566300  1
  Zr  Zr95  1  0.674866  0.074991  0.626620  1
  Zr  Zr96  1  0.676625  0.702946  0.596678  1
  Zr  Zr97  1  0.320208  0.282111  0.698165  1
  Zr  Zr98  1  0.344537  0.905164  0.667019  1
  Zr  Zr99  1  0.329565  0.534155  0.637134  1
  Zr  Zr100  1  0.165357  0.405164  0.667019  1
  Zr  Zr101  1  0.180329  0.034155  0.637134  1
  Zr  Zr102  1  0.189685  0.782111  0.698165  1
  Zr  Zr103  1  0.318682  0.504105  0.703426  1
  Zr  Zr104  1  0.330019  0.135034  0.675355  1
  Zr  Zr105  1  0.341263  0.760572  0.642437  1
  Zr  Zr106  1  0.168630  0.260572  0.642437  1
  Zr  Zr107  1  0.191212  0.004105  0.703426  1
  Zr  Zr108  1  0.179874  0.635034  0.675355  1
  Zr  Zr109  1  0.828310  0.467273  0.711634  1
  Zr  Zr110  1  0.839985  0.091530  0.681266  1
  Zr  Zr111  1  0.839600  0.719138  0.652708  1
  Zr  Zr112  1  0.670294  0.219138  0.652708  1
  Zr  Zr113  1  0.681583  0.967273  0.711634  1
  Zr  Zr114  1  0.669908  0.591530  0.681266  1
  Zr  Zr115  1  0.818069  0.319851  0.689219  1
  Zr  Zr116  1  0.842089  0.946633  0.657180  1
  Zr  Zr117  1  0.811788  0.692760  0.716255  1
  Zr  Zr118  1  0.667805  0.446633  0.657180  1
  Zr  Zr119  1  0.698106  0.192760  0.716255  1
  Zr  Zr120  1  0.691825  0.819851  0.689219  1
  Ni  Ni121  1  0.511993  0.871822  0.292490  1
  Ni  Ni122  1  0.508815  0.618933  0.351851  1
  Ni  Ni123  1  0.502883  0.245168  0.321406  1
  Ni  Ni124  1  0.511557  0.933063  0.336287  1
  Ni  Ni125  1  0.504169  0.559085  0.307266  1
  Ni  Ni126  1  0.490367  0.186211  0.277279  1
  Ni  Ni127  1  0.005724  0.059085  0.307266  1
  Ni  Ni128  1  0.019527  0.686211  0.277279  1
  Ni  Ni129  1  0.998336  0.433063  0.336287  1
  Ni  Ni130  1  1.001078  0.118933  0.351851  1
  Ni  Ni131  1  0.007010  0.745168  0.321406  1
  Ni  Ni132  1  0.997900  0.371822  0.292490  1
  Ni  Ni133  1  0.506022  0.990183  0.381924  1
  Ni  Ni134  1  0.505418  0.732794  0.442371  1
  Ni  Ni135  1  0.502585  0.361553  0.412031  1
  Ni  Ni136  1  0.505397  0.046997  0.427221  1
  Ni  Ni137  1  0.506582  0.675878  0.397075  1
  Ni  Ni138  1  0.502822  0.304407  0.367007  1
  Ni  Ni139  1  1.003312  0.175878  0.397075  1
  Ni  Ni140  1  0.007071  0.804407  0.367007  1
  Ni  Ni141  1  1.004497  0.546997  0.427221  1
  Ni  Ni142  1  1.004475  0.232794  0.442371  1
  Ni  Ni143  1  0.007308  0.861553  0.412031  1
  Ni  Ni144  1  1.003872  0.490183  0.381924  1
  Ni  Ni145  1  0.505197  0.104025  0.472572  1
  Ni  Ni146  1  0.506043  0.846688  0.533170  1
  Ni  Ni147  1  0.504423  0.475322  0.502795  1
  Ni  Ni148  1  0.504697  0.161043  0.517968  1
  Ni  Ni149  1  0.505471  0.789745  0.487745  1
  Ni  Ni150  1  0.503851  0.418379  0.457370  1
  Ni  Ni151  1  1.004423  0.289745  0.487745  1
  Ni  Ni152  1  0.006043  0.918379  0.457370  1
  Ni  Ni153  1  0.005197  0.661043  0.517968  1
  Ni  Ni154  1  1.003851  0.346688  0.533170  1
  Ni  Ni155  1  0.005471  0.975322  0.502795  1
  Ni  Ni156  1  1.004697  0.604025  0.472572  1
  Ni  Ni157  1  0.504497  0.218070  0.563319  1
  Ni  Ni158  1  0.507071  0.960661  0.623533  1
  Ni  Ni159  1  0.503312  0.589189  0.593465  1
  Ni  Ni160  1  0.503872  0.274884  0.608616  1
  Ni  Ni161  1  0.507308  0.903514  0.578509  1
  Ni  Ni162  1  0.504475  0.532274  0.548169  1
  Ni  Ni163  1  1.002585  0.403514  0.578509  1
  Ni  Ni164  1  0.005418  0.032274  0.548169  1
  Ni  Ni165  1  0.006022  0.774884  0.608616  1
  Ni  Ni166  1  1.002822  0.460661  0.623533  1
  Ni  Ni167  1  0.006582  0.089189  0.593465  1
  Ni  Ni168  1  0.005397  0.718070  0.563319  1
  Ni  Ni169  1  0.498336  0.332004  0.654253  1
  Ni  Ni170  1  0.519527  0.078857  0.713261  1
  Ni  Ni171  1  0.505724  0.705983  0.683274  1
  Ni  Ni172  1  0.497900  0.393245  0.698050  1
  Ni  Ni173  1  0.507010  0.019900  0.669134  1
  Ni  Ni174  1  0.501078  0.646134  0.638689  1
  Ni  Ni175  1  1.002883  0.519900  0.669134  1
  Ni  Ni176  1  0.008815  0.146134  0.638689  1
  Ni  Ni177  1  0.011993  0.893245  0.698050  1
  Ni  Ni178  1  0.990367  0.578857  0.713261  1
  Ni  Ni179  1  1.004169  0.205983  0.683274  1
  Ni  Ni180  1  0.011557  0.832004  0.654253  1
