# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59085112
_cell_length_b   20.42261754
_cell_length_c   51.97632511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.14324295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr36 Ni126'
_cell_volume   4872.18447104
_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
  Zr  Zr1  1  0.228048  0.174795  0.373095  1
  Zr  Zr2  1  0.510488  0.897874  0.324954  1
  Zr  Zr3  1  0.913113  0.455833  0.419344  1
  Zr  Zr4  1  0.528704  0.048150  0.350761  1
  Zr  Zr5  1  0.848592  0.766371  0.308958  1
  Zr  Zr6  1  0.241454  0.326225  0.400120  1
  Zr  Zr7  1  0.741969  0.247728  0.306556  1
  Zr  Zr8  1  0.054270  0.817457  0.394912  1
  Zr  Zr9  1  0.362260  0.537494  0.349848  1
  Zr  Zr10  1  0.064188  0.967569  0.422271  1
  Zr  Zr11  1  0.378837  0.686005  0.376789  1
  Zr  Zr12  1  0.725552  0.404457  0.330017  1
  Zr  Zr13  1  0.282879  0.012694  0.512985  1
  Zr  Zr14  1  0.595692  0.735759  0.465560  1
  Zr  Zr15  1  0.979510  0.290167  0.560872  1
  Zr  Zr16  1  0.615370  0.882947  0.494377  1
  Zr  Zr17  1  0.922608  0.604962  0.447205  1
  Zr  Zr18  1  0.303313  0.160141  0.541876  1
  Zr  Zr19  1  0.740684  0.095863  0.442271  1
  Zr  Zr20  1  0.139989  0.651724  0.536681  1
  Zr  Zr21  1  0.442980  0.373693  0.489888  1
  Zr  Zr22  1  0.161849  0.799789  0.565352  1
  Zr  Zr23  1  0.463772  0.521751  0.518443  1
  Zr  Zr24  1  0.764349  0.244155  0.471224  1
  Zr  Zr25  1  0.376453  0.848355  0.656482  1
  Zr  Zr26  1  0.670470  0.569590  0.608003  1
  Zr  Zr27  1  0.061435  0.129076  0.697165  1
  Zr  Zr28  1  0.682204  0.721261  0.634722  1
  Zr  Zr29  1  0.991944  0.439999  0.588865  1
  Zr  Zr30  1  0.390515  0.998636  0.682242  1
  Zr  Zr31  1  0.834138  0.928580  0.584980  1
  Zr  Zr32  1  0.204167  0.491321  0.678054  1
  Zr  Zr33  1  0.513434  0.210322  0.631123  1
  Zr  Zr34  1  0.169068  0.650036  0.701402  1
  Zr  Zr35  1  0.530909  0.359789  0.657420  1
  Zr  Zr36  1  0.840970  0.078934  0.612298  1
  Ni  Ni37  1  0.752048  0.252485  0.384903  1
  Ni  Ni38  1  0.046044  0.974469  0.335080  1
  Ni  Ni39  1  0.374347  0.702647  0.288149  1
  Ni  Ni40  1  0.229549  0.205769  0.324213  1
  Ni  Ni41  1  0.565359  0.768856  0.414945  1
  Ni  Ni42  1  0.876091  0.487336  0.367865  1
  Ni  Ni43  1  0.533522  0.120290  0.308491  1
  Ni  Ni44  1  0.891024  0.680569  0.403237  1
  Ni  Ni45  1  0.231391  0.401633  0.355946  1
  Ni  Ni46  1  0.027269  0.095229  0.328429  1
  Ni  Ni47  1  0.411775  0.653996  0.427291  1
  Ni  Ni48  1  0.740444  0.374146  0.380229  1
  Ni  Ni49  1  0.724858  0.179223  0.347171  1
  Ni  Ni50  1  0.013271  0.898329  0.298117  1
  Ni  Ni51  1  0.401817  0.460170  0.392667  1
  Ni  Ni52  1  0.983045  0.295453  0.348335  1
  Ni  Ni53  1  0.254386  0.015975  0.296528  1
  Ni  Ni54  1  0.643181  0.573022  0.395973  1
  Ni  Ni55  1  0.475218  0.291894  0.349739  1
  Ni  Ni56  1  0.747289  0.008246  0.300597  1
  Ni  Ni57  1  0.138475  0.570292  0.398286  1
  Ni  Ni58  1  0.245283  0.331536  0.310040  1
  Ni  Ni59  1  0.573532  0.892895  0.408068  1
  Ni  Ni60  1  0.897237  0.612411  0.360097  1
  Ni  Ni61  1  0.726670  0.127736  0.392554  1
  Ni  Ni62  1  0.017075  0.850045  0.344766  1
  Ni  Ni63  1  0.353330  0.571343  0.298645  1
  Ni  Ni64  1  0.040096  0.043265  0.377801  1
  Ni  Ni65  1  0.351552  0.761988  0.333089  1
  Ni  Ni66  1  0.746367  0.320370  0.427270  1
  Ni  Ni67  1  0.554662  0.015726  0.402178  1
  Ni  Ni68  1  0.871131  0.733862  0.356667  1
  Ni  Ni69  1  0.233331  0.456522  0.311389  1
  Ni  Ni70  1  0.231504  0.100818  0.415439  1
  Ni  Ni71  1  0.543935  0.822745  0.368173  1
  Ni  Ni72  1  0.844998  0.540403  0.320327  1
  Ni  Ni73  1  0.486588  0.212577  0.419969  1
  Ni  Ni74  1  0.786171  0.936303  0.371084  1
  Ni  Ni75  1  0.087228  0.655470  0.322129  1
  Ni  Ni76  1  0.985424  0.210861  0.422268  1
  Ni  Ni77  1  0.281827  0.932460  0.373417  1
  Ni  Ni78  1  0.582651  0.653354  0.327266  1
  Ni  Ni79  1  0.793956  0.086009  0.527546  1
  Ni  Ni80  1  0.105372  0.809590  0.479894  1
  Ni  Ni81  1  0.427695  0.531176  0.432785  1
  Ni  Ni82  1  0.248399  0.047007  0.461871  1
  Ni  Ni83  1  0.647074  0.602298  0.557068  1
  Ni  Ni84  1  0.950145  0.324455  0.509925  1
  Ni  Ni85  1  0.579616  0.960544  0.449967  1
  Ni  Ni86  1  0.974196  0.515537  0.545524  1
  Ni  Ni87  1  0.275438  0.237408  0.498254  1
  Ni  Ni88  1  0.103963  0.932676  0.474011  1
  Ni  Ni89  1  0.486990  0.488284  0.568954  1
  Ni  Ni90  1  0.794255  0.209459  0.522036  1
  Ni  Ni91  1  0.769059  0.018731  0.485737  1
  Ni  Ni92  1  0.082143  0.741649  0.438435  1
  Ni  Ni93  1  0.468132  0.296647  0.533596  1
  Ni  Ni94  1  0.017850  0.128613  0.491456  1
  Ni  Ni95  1  0.331054  0.851958  0.443749  1
  Ni  Ni96  1  0.723618  0.404983  0.540472  1
  Ni  Ni97  1  0.518195  0.127780  0.492578  1
  Ni  Ni98  1  0.830824  0.851359  0.444548  1
  Ni  Ni99  1  0.224008  0.406325  0.539034  1
  Ni  Ni100  1  0.266127  0.170281  0.456481  1
  Ni  Ni101  1  0.637459  0.725449  0.551285  1
  Ni  Ni102  1  0.949777  0.447741  0.504254  1
  Ni  Ni103  1  0.793939  0.963047  0.533282  1
  Ni  Ni104  1  0.105897  0.686276  0.485551  1
  Ni  Ni105  1  0.419807  0.407250  0.439385  1
  Ni  Ni106  1  0.130063  0.876904  0.521671  1
  Ni  Ni107  1  0.435263  0.598877  0.474512  1
  Ni  Ni108  1  0.815699  0.154296  0.568941  1
  Ni  Ni109  1  0.652358  0.848699  0.545637  1
  Ni  Ni110  1  0.955856  0.571018  0.498401  1
  Ni  Ni111  1  0.259210  0.293425  0.450944  1
  Ni  Ni112  1  0.318741  0.935333  0.557337  1
  Ni  Ni113  1  0.627604  0.658329  0.509562  1
  Ni  Ni114  1  0.932847  0.380007  0.462813  1
  Ni  Ni115  1  0.565607  0.043921  0.563600  1
  Ni  Ni116  1  0.882337  0.767128  0.516060  1
  Ni  Ni117  1  0.185199  0.489830  0.468420  1
  Ni  Ni118  1  0.065958  0.044495  0.562899  1
  Ni  Ni119  1  0.382150  0.767796  0.515021  1
  Ni  Ni120  1  0.684943  0.489526  0.468863  1
  Ni  Ni121  1  0.854140  0.922082  0.672330  1
  Ni  Ni122  1  0.155297  0.643286  0.623222  1
  Ni  Ni123  1  0.468403  0.364310  0.575575  1
  Ni  Ni124  1  0.345198  0.880444  0.605036  1
  Ni  Ni125  1  0.699989  0.445806  0.695509  1
  Ni  Ni126  1  0.023918  0.163164  0.650879  1
  Ni  Ni127  1  0.672927  0.795073  0.592225  1
  Ni  Ni128  1  0.034293  0.356230  0.686462  1
  Ni  Ni129  1  0.351382  0.073428  0.638907  1
  Ni  Ni130  1  0.181222  0.768092  0.615265  1
  Ni  Ni131  1  0.516444  0.338947  0.706997  1
  Ni  Ni132  1  0.882269  0.046170  0.662344  1
  Ni  Ni133  1  0.863118  0.852881  0.629514  1
  Ni  Ni134  1  0.162900  0.575531  0.580846  1
  Ni  Ni135  1  0.549187  0.134779  0.673248  1
  Ni  Ni136  1  0.114322  0.959435  0.636322  1
  Ni  Ni137  1  0.420009  0.683227  0.588004  1
  Ni  Ni138  1  0.786146  0.240573  0.687566  1
  Ni  Ni139  1  0.618873  0.963834  0.633777  1
  Ni  Ni140  1  0.921300  0.684951  0.585577  1
  Ni  Ni141  1  0.296855  0.244782  0.681647  1
  Ni  Ni142  1  0.323116  0.003098  0.599302  1
  Ni  Ni143  1  0.665433  0.567699  0.698601  1
  Ni  Ni144  1  0.987598  0.282561  0.648412  1
  Ni  Ni145  1  0.880251  0.801571  0.678871  1
  Ni  Ni146  1  0.174832  0.521889  0.627970  1
  Ni  Ni147  1  0.488058  0.241590  0.580651  1
  Ni  Ni148  1  0.186194  0.716989  0.660655  1
  Ni  Ni149  1  0.501558  0.435545  0.615299  1
  Ni  Ni150  1  0.889362  0.998571  0.709161  1
  Ni  Ni151  1  0.681827  0.691456  0.683650  1
  Ni  Ni152  1  0.020815  0.408807  0.639790  1
  Ni  Ni153  1  0.330619  0.127444  0.592263  1
  Ni  Ni154  1  0.374383  0.777069  0.698963  1
  Ni  Ni155  1  0.687165  0.495457  0.651461  1
  Ni  Ni156  1  0.004555  0.215072  0.604536  1
  Ni  Ni157  1  0.652724  0.880677  0.711132  1
  Ni  Ni158  1  0.931873  0.600014  0.660238  1
  Ni  Ni159  1  0.254452  0.321789  0.612519  1
  Ni  Ni160  1  0.159784  0.889026  0.706548  1
  Ni  Ni161  1  0.439815  0.604834  0.658207  1
  Ni  Ni162  1  0.761153  0.325291  0.609470  1
