# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43643467
_cell_length_b   22.08966428
_cell_length_c   51.74108905
_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   7356.47979477
_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  0.840608  0.010291  0.350845  1
  Zr  Zr2  1  0.831128  0.636178  0.318657  1
  Zr  Zr3  1  0.822051  0.265925  0.290510  1
  Zr  Zr4  1  0.185182  0.950406  0.304819  1
  Zr  Zr5  1  0.190734  0.577838  0.277675  1
  Zr  Zr6  1  0.165378  0.324165  0.335984  1
  Zr  Zr7  1  0.338021  0.051872  0.340794  1
  Zr  Zr8  1  0.337470  0.679591  0.311836  1
  Zr  Zr9  1  0.331672  0.304444  0.281778  1
  Zr  Zr10  1  0.681287  0.990353  0.295687  1
  Zr  Zr11  1  0.675755  0.737424  0.356186  1
  Zr  Zr12  1  0.665132  0.365889  0.326220  1
  Zr  Zr13  1  0.340747  0.824165  0.335984  1
  Zr  Zr14  1  0.320942  0.450406  0.304819  1
  Zr  Zr15  1  0.315390  0.077838  0.277675  1
  Zr  Zr16  1  0.684073  0.765925  0.290510  1
  Zr  Zr17  1  0.665516  0.510291  0.350845  1
  Zr  Zr18  1  0.674997  0.136178  0.318657  1
  Zr  Zr19  1  0.840992  0.865889  0.326220  1
  Zr  Zr20  1  0.824838  0.490353  0.295687  1
  Zr  Zr21  1  0.830369  0.237424  0.356186  1
  Zr  Zr22  1  0.174452  0.804444  0.281778  1
  Zr  Zr23  1  0.168104  0.551872  0.340794  1
  Zr  Zr24  1  0.168654  0.179591  0.311836  1
  Zr  Zr25  1  0.834527  0.126520  0.442194  1
  Zr  Zr26  1  0.835105  0.754358  0.411903  1
  Zr  Zr27  1  0.830876  0.382270  0.381711  1
  Zr  Zr28  1  0.173568  0.068426  0.396695  1
  Zr  Zr29  1  0.171422  0.696077  0.366564  1
  Zr  Zr30  1  0.170086  0.440498  0.427043  1
  Zr  Zr31  1  0.334292  0.168277  0.432306  1
  Zr  Zr32  1  0.336284  0.796146  0.401883  1
  Zr  Zr33  1  0.330247  0.424347  0.371471  1
  Zr  Zr34  1  0.672391  0.110020  0.386594  1
  Zr  Zr35  1  0.673403  0.854405  0.447497  1
  Zr  Zr36  1  0.669810  0.482347  0.417035  1
  Zr  Zr37  1  0.336038  0.940498  0.427043  1
  Zr  Zr38  1  0.332556  0.568426  0.396695  1
  Zr  Zr39  1  0.334703  0.196077  0.366564  1
  Zr  Zr40  1  0.675249  0.882270  0.381711  1
  Zr  Zr41  1  0.671597  0.626520  0.442194  1
  Zr  Zr42  1  0.671019  0.254358  0.411903  1
  Zr  Zr43  1  0.836314  0.982347  0.417035  1
  Zr  Zr44  1  0.833733  0.610020  0.386594  1
  Zr  Zr45  1  0.832721  0.354405  0.447497  1
  Zr  Zr46  1  0.175877  0.924347  0.371471  1
  Zr  Zr47  1  0.171832  0.668277  0.432306  1
  Zr  Zr48  1  0.169840  0.296146  0.401883  1
  Zr  Zr49  1  0.833283  0.242825  0.533341  1
  Zr  Zr50  1  0.835342  0.870732  0.502981  1
  Zr  Zr51  1  0.833094  0.498624  0.472595  1
  Zr  Zr52  1  0.171667  0.184678  0.487809  1
  Zr  Zr53  1  0.173118  0.812555  0.457430  1
  Zr  Zr54  1  0.171436  0.556796  0.518139  1
  Zr  Zr55  1  0.333094  0.284654  0.523389  1
  Zr  Zr56  1  0.335342  0.912546  0.493003  1
  Zr  Zr57  1  0.333283  0.540452  0.462643  1
  Zr  Zr58  1  0.671436  0.226482  0.477844  1
  Zr  Zr59  1  0.673118  0.970722  0.538553  1
  Zr  Zr60  1  0.671667  0.598600  0.508175  1
  Zr  Zr61  1  0.334688  0.056796  0.518139  1
  Zr  Zr62  1  0.334458  0.684678  0.487809  1
  Zr  Zr63  1  0.333006  0.312555  0.457430  1
  Zr  Zr64  1  0.673031  0.998624  0.472595  1
  Zr  Zr65  1  0.672842  0.742825  0.533341  1
  Zr  Zr66  1  0.670783  0.370732  0.502981  1
  Zr  Zr67  1  0.834458  0.098600  0.508175  1
  Zr  Zr68  1  0.834688  0.726482  0.477844  1
  Zr  Zr69  1  0.833006  0.470722  0.538553  1
  Zr  Zr70  1  0.172842  0.040452  0.462643  1
  Zr  Zr71  1  0.173031  0.784654  0.523389  1
  Zr  Zr72  1  0.170783  0.412546  0.493003  1
  Zr  Zr73  1  0.830247  0.358930  0.624513  1
  Zr  Zr74  1  0.836284  0.987131  0.594101  1
  Zr  Zr75  1  0.834292  0.615000  0.563678  1
  Zr  Zr76  1  0.169810  0.300931  0.578948  1
  Zr  Zr77  1  0.173403  0.928872  0.548487  1
  Zr  Zr78  1  0.172391  0.673258  0.609390  1
  Zr  Zr79  1  0.330876  0.401008  0.614273  1
  Zr  Zr80  1  0.335105  0.028919  0.584081  1
  Zr  Zr81  1  0.334527  0.656757  0.553790  1
  Zr  Zr82  1  0.670086  0.342779  0.568940  1
  Zr  Zr83  1  0.671422  0.087200  0.629420  1
  Zr  Zr84  1  0.673568  0.714852  0.599288  1
  Zr  Zr85  1  0.333733  0.173258  0.609390  1
  Zr  Zr86  1  0.336314  0.800931  0.578948  1
  Zr  Zr87  1  0.332721  0.428872  0.548487  1
  Zr  Zr88  1  0.671832  0.115000  0.563678  1
  Zr  Zr89  1  0.675877  0.858930  0.624513  1
  Zr  Zr90  1  0.669840  0.487131  0.594101  1
  Zr  Zr91  1  0.832556  0.214852  0.599288  1
  Zr  Zr92  1  0.836038  0.842779  0.568940  1
  Zr  Zr93  1  0.834703  0.587200  0.629420  1
  Zr  Zr94  1  0.171597  0.156757  0.553790  1
  Zr  Zr95  1  0.175249  0.901008  0.614273  1
  Zr  Zr96  1  0.171019  0.528919  0.584081  1
  Zr  Zr97  1  0.831672  0.478833  0.714205  1
  Zr  Zr98  1  0.837470  0.103686  0.684148  1
  Zr  Zr99  1  0.838021  0.731405  0.655190  1
  Zr  Zr100  1  0.165132  0.417389  0.669763  1
  Zr  Zr101  1  0.175755  0.045854  0.639797  1
  Zr  Zr102  1  0.181287  0.792924  0.700297  1
  Zr  Zr103  1  0.322051  0.517353  0.705474  1
  Zr  Zr104  1  0.331128  0.147100  0.677327  1
  Zr  Zr105  1  0.340608  0.772987  0.645139  1
  Zr  Zr106  1  0.665378  0.459112  0.659999  1
  Zr  Zr107  1  0.690734  0.205439  0.718308  1
  Zr  Zr108  1  0.685182  0.832872  0.691164  1
  Zr  Zr109  1  0.324838  0.292924  0.700297  1
  Zr  Zr110  1  0.340992  0.917389  0.669763  1
  Zr  Zr111  1  0.330369  0.545854  0.639797  1
  Zr  Zr112  1  0.668104  0.231405  0.655190  1
  Zr  Zr113  1  0.674452  0.978833  0.714205  1
  Zr  Zr114  1  0.668654  0.603686  0.684148  1
  Zr  Zr115  1  0.820942  0.332872  0.691164  1
  Zr  Zr116  1  0.840747  0.959112  0.659999  1
  Zr  Zr117  1  0.815390  0.705439  0.718308  1
  Zr  Zr118  1  0.165516  0.272987  0.645139  1
  Zr  Zr119  1  0.184073  0.017353  0.705474  1
  Zr  Zr120  1  0.174997  0.647100  0.677327  1
  Ni  Ni121  1  0.004309  0.065038  0.309401  1
  Ni  Ni122  1  0.016094  0.692614  0.279708  1
  Ni  Ni123  1  0.996574  0.438386  0.338664  1
  Ni  Ni124  1  1.001189  0.124325  0.354012  1
  Ni  Ni125  1  0.005320  0.751148  0.323684  1
  Ni  Ni126  1  0.997482  0.378172  0.294619  1
  Ni  Ni127  1  0.508643  0.878172  0.294619  1
  Ni  Ni128  1  0.504935  0.624325  0.354012  1
  Ni  Ni129  1  0.500805  0.251148  0.323684  1
  Ni  Ni130  1  0.509550  0.938386  0.338664  1
  Ni  Ni131  1  0.501815  0.565038  0.309401  1
  Ni  Ni132  1  0.490030  0.192614  0.279708  1
  Ni  Ni133  1  1.002516  0.182386  0.399383  1
  Ni  Ni134  1  0.005869  0.810297  0.369260  1
  Ni  Ni135  1  1.001703  0.554434  0.429679  1
  Ni  Ni136  1  1.002582  0.240480  0.444908  1
  Ni  Ni137  1  0.005649  0.868470  0.414533  1
  Ni  Ni138  1  1.000043  0.496353  0.384283  1
  Ni  Ni139  1  0.506082  0.996353  0.384283  1
  Ni  Ni140  1  0.503542  0.740480  0.444908  1
  Ni  Ni141  1  0.500475  0.368470  0.414533  1
  Ni  Ni142  1  0.504421  0.054434  0.429679  1
  Ni  Ni143  1  0.503608  0.682386  0.399383  1
  Ni  Ni144  1  0.500255  0.310297  0.369260  1
  Ni  Ni145  1  1.002089  0.298624  0.490423  1
  Ni  Ni146  1  0.004410  0.926536  0.460034  1
  Ni  Ni147  1  0.003413  0.670710  0.520759  1
  Ni  Ni148  1  1.001714  0.356741  0.535950  1
  Ni  Ni149  1  0.004036  0.984653  0.505560  1
  Ni  Ni150  1  1.002711  0.612567  0.475224  1
  Ni  Ni151  1  0.503413  0.112567  0.475224  1
  Ni  Ni152  1  0.504410  0.856741  0.535950  1
  Ni  Ni153  1  0.502089  0.484653  0.505560  1
  Ni  Ni154  1  0.502711  0.170710  0.520759  1
  Ni  Ni155  1  0.504036  0.798624  0.490423  1
  Ni  Ni156  1  0.501714  0.426536  0.460034  1
  Ni  Ni157  1  1.000475  0.414807  0.581450  1
  Ni  Ni158  1  0.003542  0.042798  0.551076  1
  Ni  Ni159  1  0.006082  0.786924  0.611701  1
  Ni  Ni160  1  1.000255  0.472980  0.626723  1
  Ni  Ni161  1  0.003608  0.100891  0.596601  1
  Ni  Ni162  1  0.004421  0.728844  0.566305  1
  Ni  Ni163  1  0.501703  0.228844  0.566305  1
  Ni  Ni164  1  0.505869  0.972980  0.626723  1
  Ni  Ni165  1  0.502516  0.600891  0.596601  1
  Ni  Ni166  1  0.500043  0.286924  0.611701  1
  Ni  Ni167  1  0.505649  0.914807  0.581450  1
  Ni  Ni168  1  0.502582  0.542798  0.551076  1
  Ni  Ni169  1  1.000805  0.532130  0.672300  1
  Ni  Ni170  1  0.004935  0.158952  0.641971  1
  Ni  Ni171  1  0.008643  0.905105  0.701365  1
  Ni  Ni172  1  0.990030  0.590663  0.716275  1
  Ni  Ni173  1  1.001815  0.218239  0.686582  1
  Ni  Ni174  1  0.009550  0.844891  0.657320  1
  Ni  Ni175  1  0.496574  0.344891  0.657320  1
  Ni  Ni176  1  0.516094  0.090663  0.716275  1
  Ni  Ni177  1  0.504309  0.718239  0.686582  1
  Ni  Ni178  1  0.497482  0.405105  0.701365  1
  Ni  Ni179  1  0.505320  0.032130  0.672300  1
  Ni  Ni180  1  0.501189  0.658952  0.641971  1
