# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60280217
_cell_length_b   8.72222260
_cell_length_c   51.26751365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr28 Ni98'
_cell_volume   3399.71969933
_cell_formula_units_Z   14
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  1.034728  0.665884  0.269107  1
  Zr  Zr2  1  1.034728  0.007818  0.286728  1
  Zr  Zr3  1  0.534728  0.479823  0.300312  1
  Zr  Zr4  1  0.534728  0.191805  0.256781  1
  Zr  Zr5  1  1.034728  0.299768  0.333492  1
  Zr  Zr6  1  1.034728  0.632331  0.351050  1
  Zr  Zr7  1  0.534728  0.119741  0.367095  1
  Zr  Zr8  1  0.534728  0.823572  0.318675  1
  Zr  Zr9  1  1.034728  0.941657  0.401787  1
  Zr  Zr10  1  1.034728  0.268923  0.417536  1
  Zr  Zr11  1  0.534728  0.765129  0.435247  1
  Zr  Zr12  1  0.534728  0.448433  0.384002  1
  Zr  Zr13  1  1.034728  0.587324  0.468657  1
  Zr  Zr14  1  1.034728  0.912866  0.484092  1
  Zr  Zr15  1  0.534728  0.409406  0.501983  1
  Zr  Zr16  1  0.534728  0.090610  0.450912  1
  Zr  Zr17  1  1.034728  0.232514  0.535330  1
  Zr  Zr18  1  1.034728  0.558123  0.550687  1
  Zr  Zr19  1  0.534728  0.055679  0.568695  1
  Zr  Zr20  1  0.534728  0.734916  0.517238  1
  Zr  Zr21  1  1.034728  0.877575  0.602227  1
  Zr  Zr22  1  1.034728  0.207250  0.618528  1
  Zr  Zr23  1  0.534728  0.692920  0.634760  1
  Zr  Zr24  1  0.534728  0.382386  0.584637  1
  Zr  Zr25  1  1.034728  0.507853  0.666497  1
  Zr  Zr26  1  1.034728  0.842123  0.682456  1
  Zr  Zr27  1  0.534728  0.336765  0.697184  1
  Zr  Zr28  1  0.534728  0.027668  0.650772  1
  Ni  Ni29  1  1.034728  0.358464  0.271572  1
  Ni  Ni30  1  0.369688  0.702732  0.273507  1
  Ni  Ni31  1  0.363794  0.968986  0.280555  1
  Ni  Ni32  1  0.200747  0.152181  0.248144  1
  Ni  Ni33  1  0.204315  0.519414  0.305034  1
  Ni  Ni34  1  0.318025  0.435202  0.257480  1
  Ni  Ni35  1  0.274461  0.247711  0.292282  1
  Ni  Ni36  1  0.534728  0.578594  0.237535  1
  Ni  Ni37  1  0.865140  0.519414  0.305034  1
  Ni  Ni38  1  0.868708  0.152181  0.248144  1
  Ni  Ni39  1  0.705661  0.968986  0.280555  1
  Ni  Ni40  1  0.699767  0.702732  0.273507  1
  Ni  Ni41  1  0.794995  0.247711  0.292282  1
  Ni  Ni42  1  0.751431  0.435202  0.257480  1
  Ni  Ni43  1  1.034728  0.933083  0.349950  1
  Ni  Ni44  1  0.363809  0.335999  0.339118  1
  Ni  Ni45  1  0.366848  0.605308  0.347182  1
  Ni  Ni46  1  0.201775  0.786214  0.313920  1
  Ni  Ni47  1  0.203424  0.152928  0.372697  1
  Ni  Ni48  1  0.259322  0.059162  0.326692  1
  Ni  Ni49  1  0.329295  0.877909  0.360207  1
  Ni  Ni50  1  0.534728  0.143442  0.311097  1
  Ni  Ni51  1  0.866032  0.152928  0.372697  1
  Ni  Ni52  1  0.867681  0.786214  0.313920  1
  Ni  Ni53  1  0.702607  0.605308  0.347182  1
  Ni  Ni54  1  0.705647  0.335999  0.339118  1
  Ni  Ni55  1  0.740161  0.877909  0.360207  1
  Ni  Ni56  1  0.810133  0.059162  0.326692  1
  Ni  Ni57  1  1.034728  0.559555  0.418196  1
  Ni  Ni58  1  0.366386  0.971302  0.405829  1
  Ni  Ni59  1  0.365923  0.244306  0.414385  1
  Ni  Ni60  1  0.203276  0.424194  0.380924  1
  Ni  Ni61  1  0.203794  0.791326  0.439046  1
  Ni  Ni62  1  0.231450  0.700787  0.392675  1
  Ni  Ni63  1  0.340516  0.524516  0.425328  1
  Ni  Ni64  1  0.534728  0.740329  0.384508  1
  Ni  Ni65  1  0.865662  0.791326  0.439046  1
  Ni  Ni66  1  0.866180  0.424194  0.380924  1
  Ni  Ni67  1  0.703532  0.244306  0.414385  1
  Ni  Ni68  1  0.703070  0.971302  0.405829  1
  Ni  Ni69  1  0.728939  0.524516  0.425328  1
  Ni  Ni70  1  0.838005  0.700787  0.392675  1
  Ni  Ni71  1  1.034728  0.204852  0.484614  1
  Ni  Ni72  1  0.365656  0.613012  0.472158  1
  Ni  Ni73  1  0.364967  0.887897  0.481287  1
  Ni  Ni74  1  0.204370  0.065932  0.447884  1
  Ni  Ni75  1  0.203851  0.435304  0.505454  1
  Ni  Ni76  1  0.229270  0.347871  0.458461  1
  Ni  Ni77  1  0.340427  0.170681  0.491776  1
  Ni  Ni78  1  0.534728  0.381793  0.451325  1
  Ni  Ni79  1  0.865605  0.435304  0.505454  1
  Ni  Ni80  1  0.865085  0.065932  0.447884  1
  Ni  Ni81  1  0.704489  0.887897  0.481287  1
  Ni  Ni82  1  0.703799  0.613012  0.472158  1
  Ni  Ni83  1  0.729029  0.170681  0.491776  1
  Ni  Ni84  1  0.840185  0.347871  0.458461  1
  Ni  Ni85  1  1.034728  0.850000  0.551084  1
  Ni  Ni86  1  0.365901  0.257469  0.538871  1
  Ni  Ni87  1  0.365351  0.531846  0.547572  1
  Ni  Ni88  1  0.204237  0.710145  0.514493  1
  Ni  Ni89  1  0.203003  0.079405  0.572175  1
  Ni  Ni90  1  0.228443  0.993963  0.524932  1
  Ni  Ni91  1  0.339698  0.817838  0.557914  1
  Ni  Ni92  1  0.534728  0.027004  0.517968  1
  Ni  Ni93  1  0.866452  0.079405  0.572175  1
  Ni  Ni94  1  0.865219  0.710145  0.514493  1
  Ni  Ni95  1  0.704105  0.531846  0.547572  1
  Ni  Ni96  1  0.703554  0.257469  0.538871  1
  Ni  Ni97  1  0.729757  0.817838  0.557914  1
  Ni  Ni98  1  0.841013  0.993963  0.524932  1
  Ni  Ni99  1  1.034728  0.502476  0.615708  1
  Ni  Ni100  1  0.366507  0.900467  0.605589  1
  Ni  Ni101  1  0.363312  0.173578  0.613934  1
  Ni  Ni102  1  0.204153  0.353385  0.580748  1
  Ni  Ni103  1  0.202713  0.723328  0.639103  1
  Ni  Ni104  1  0.233887  0.639742  0.591171  1
  Ni  Ni105  1  0.327440  0.455935  0.625628  1
  Ni  Ni106  1  0.534728  0.675116  0.583190  1
  Ni  Ni107  1  0.866742  0.723328  0.639103  1
  Ni  Ni108  1  0.865303  0.353385  0.580748  1
  Ni  Ni109  1  0.706143  0.173578  0.613934  1
  Ni  Ni110  1  0.702949  0.900467  0.605589  1
  Ni  Ni111  1  0.742015  0.455935  0.625628  1
  Ni  Ni112  1  0.835568  0.639742  0.591171  1
  Ni  Ni113  1  1.034728  0.136077  0.685014  1
  Ni  Ni114  1  0.364017  0.541523  0.671988  1
  Ni  Ni115  1  0.370185  0.809668  0.680113  1
  Ni  Ni116  1  0.205412  0.993682  0.648303  1
  Ni  Ni117  1  0.200709  0.355424  0.704472  1
  Ni  Ni118  1  0.244325  0.266455  0.660209  1
  Ni  Ni119  1  0.346654  0.079834  0.694750  1
  Ni  Ni120  1  0.534728  0.323016  0.648935  1
  Ni  Ni121  1  0.868747  0.355424  0.704472  1
  Ni  Ni122  1  0.864044  0.993682  0.648303  1
  Ni  Ni123  1  0.699271  0.809668  0.680113  1
  Ni  Ni124  1  0.705438  0.541523  0.671988  1
  Ni  Ni125  1  0.722802  0.079834  0.694750  1
  Ni  Ni126  1  0.825130  0.266455  0.660209  1
