# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43790417
_cell_length_b   15.79592772
_cell_length_c   48.73008929
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.70243986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr36 Ni126'
_cell_volume   4869.29148722
_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  0.163988  0.856261  0.422917  1
  Zr  Zr2  1  0.474939  0.106701  0.375532  1
  Zr  Zr3  1  0.784318  0.357316  0.327454  1
  Zr  Zr4  1  0.960540  0.065484  0.386286  1
  Zr  Zr5  1  0.269807  0.318698  0.338693  1
  Zr  Zr6  1  0.586179  0.575748  0.295413  1
  Zr  Zr7  1  0.284318  0.857316  0.327454  1
  Zr  Zr8  1  0.663988  0.356261  0.422917  1
  Zr  Zr9  1  0.974939  0.606701  0.375532  1
  Zr  Zr10  1  0.769807  0.818698  0.338693  1
  Zr  Zr11  1  0.086179  0.075748  0.295413  1
  Zr  Zr12  1  0.460540  0.565484  0.386286  1
  Zr  Zr13  1  0.229065  0.104062  0.567508  1
  Zr  Zr14  1  0.540374  0.355127  0.519093  1
  Zr  Zr15  1  0.853020  0.606179  0.470953  1
  Zr  Zr16  1  0.027493  0.314569  0.530876  1
  Zr  Zr17  1  0.339362  0.565524  0.482896  1
  Zr  Zr18  1  0.650218  0.815233  0.434489  1
  Zr  Zr19  1  0.353020  0.106179  0.470953  1
  Zr  Zr20  1  0.729065  0.604062  0.567508  1
  Zr  Zr21  1  0.040374  0.855127  0.519093  1
  Zr  Zr22  1  0.839362  0.065524  0.482896  1
  Zr  Zr23  1  0.150218  0.315233  0.434489  1
  Zr  Zr24  1  0.527493  0.814569  0.530876  1
  Zr  Zr25  1  0.260381  0.324452  0.706898  1
  Zr  Zr26  1  0.602398  0.598502  0.659791  1
  Zr  Zr27  1  0.917684  0.853397  0.615181  1
  Zr  Zr28  1  0.101808  0.560039  0.672079  1
  Zr  Zr29  1  0.403129  0.813337  0.627775  1
  Zr  Zr30  1  0.713992  0.063499  0.579043  1
  Zr  Zr31  1  0.417684  0.353397  0.615181  1
  Zr  Zr32  1  0.760381  0.824452  0.706898  1
  Zr  Zr33  1  0.102398  0.098502  0.659791  1
  Zr  Zr34  1  0.903129  0.313337  0.627775  1
  Zr  Zr35  1  0.213992  0.563499  0.579043  1
  Zr  Zr36  1  0.601808  0.060039  0.672079  1
  Ni  Ni37  1  0.560084  0.958580  0.404609  1
  Ni  Ni38  1  0.870877  0.207185  0.355319  1
  Ni  Ni39  1  0.173850  0.451785  0.306313  1
  Ni  Ni40  1  0.071260  0.780830  0.373381  1
  Ni  Ni41  1  0.379262  0.030669  0.326286  1
  Ni  Ni42  1  0.760320  0.529372  0.421924  1
  Ni  Ni43  1  0.006802  0.977818  0.339414  1
  Ni  Ni44  1  0.329698  0.233592  0.294069  1
  Ni  Ni45  1  0.699067  0.727330  0.387255  1
  Ni  Ni46  1  0.863618  0.892970  0.388058  1
  Ni  Ni47  1  0.172601  0.145976  0.340611  1
  Ni  Ni48  1  0.493297  0.398009  0.293072  1
  Ni  Ni49  1  0.238222  0.946396  0.374215  1
  Ni  Ni50  1  0.545393  0.192349  0.327889  1
  Ni  Ni51  1  0.926246  0.695423  0.422309  1
  Ni  Ni52  1  0.466595  0.834678  0.379313  1
  Ni  Ni53  1  0.777762  0.083737  0.329523  1
  Ni  Ni54  1  0.110102  0.329732  0.278231  1
  Ni  Ni55  1  0.623511  0.963482  0.355732  1
  Ni  Ni56  1  0.937118  0.219309  0.306813  1
  Ni  Ni57  1  0.311826  0.710975  0.404038  1
  Ni  Ni58  1  0.370877  0.707185  0.355319  1
  Ni  Ni59  1  0.673850  0.951785  0.306313  1
  Ni  Ni60  1  0.060084  0.458580  0.404609  1
  Ni  Ni61  1  0.260320  0.029372  0.421924  1
  Ni  Ni62  1  0.571260  0.280830  0.373381  1
  Ni  Ni63  1  0.879262  0.530669  0.326286  1
  Ni  Ni64  1  0.829698  0.733592  0.294069  1
  Ni  Ni65  1  0.199067  0.227330  0.387255  1
  Ni  Ni66  1  0.506802  0.477818  0.339414  1
  Ni  Ni67  1  0.993297  0.898009  0.293072  1
  Ni  Ni68  1  0.363618  0.392970  0.388058  1
  Ni  Ni69  1  0.672601  0.645976  0.340611  1
  Ni  Ni70  1  0.045393  0.692349  0.327889  1
  Ni  Ni71  1  0.426246  0.195423  0.422309  1
  Ni  Ni72  1  0.738222  0.446396  0.374215  1
  Ni  Ni73  1  0.610102  0.829732  0.278231  1
  Ni  Ni74  1  0.966595  0.334678  0.379313  1
  Ni  Ni75  1  0.277762  0.583737  0.329523  1
  Ni  Ni76  1  0.437118  0.719309  0.306813  1
  Ni  Ni77  1  0.811826  0.210975  0.404038  1
  Ni  Ni78  1  0.123511  0.463482  0.355732  1
  Ni  Ni79  1  0.629132  0.211992  0.549125  1
  Ni  Ni80  1  0.940414  0.460895  0.501085  1
  Ni  Ni81  1  0.252281  0.710556  0.452638  1
  Ni  Ni82  1  0.137707  0.028661  0.517915  1
  Ni  Ni83  1  0.450468  0.279794  0.469547  1
  Ni  Ni84  1  0.825658  0.777639  0.566096  1
  Ni  Ni85  1  0.077385  0.226414  0.483539  1
  Ni  Ni86  1  0.387460  0.476600  0.435438  1
  Ni  Ni87  1  0.763916  0.975736  0.531825  1
  Ni  Ni88  1  0.929064  0.140840  0.532432  1
  Ni  Ni89  1  0.242410  0.391872  0.484041  1
  Ni  Ni90  1  0.553061  0.641828  0.435677  1
  Ni  Ni91  1  0.302200  0.193800  0.518553  1
  Ni  Ni92  1  0.615548  0.445035  0.470134  1
  Ni  Ni93  1  0.990605  0.942777  0.566409  1
  Ni  Ni94  1  0.533193  0.085519  0.525616  1
  Ni  Ni95  1  0.845961  0.335485  0.476966  1
  Ni  Ni96  1  0.157466  0.585232  0.428478  1
  Ni  Ni97  1  0.689554  0.209912  0.500922  1
  Ni  Ni98  1  1.002230  0.460804  0.452937  1
  Ni  Ni99  1  0.377522  0.959035  0.549316  1
  Ni  Ni100  1  0.440414  0.960895  0.501085  1
  Ni  Ni101  1  0.752281  0.210556  0.452638  1
  Ni  Ni102  1  0.129132  0.711992  0.549125  1
  Ni  Ni103  1  0.325658  0.277639  0.566096  1
  Ni  Ni104  1  0.637707  0.528661  0.517915  1
  Ni  Ni105  1  0.950468  0.779794  0.469547  1
  Ni  Ni106  1  0.887460  0.976600  0.435438  1
  Ni  Ni107  1  0.263916  0.475736  0.531825  1
  Ni  Ni108  1  0.577385  0.726414  0.483539  1
  Ni  Ni109  1  0.053061  0.141828  0.435677  1
  Ni  Ni110  1  0.429064  0.640840  0.532432  1
  Ni  Ni111  1  0.742410  0.891872  0.484041  1
  Ni  Ni112  1  0.115548  0.945035  0.470134  1
  Ni  Ni113  1  0.490605  0.442777  0.566409  1
  Ni  Ni114  1  0.802200  0.693800  0.518553  1
  Ni  Ni115  1  0.657466  0.085232  0.428478  1
  Ni  Ni116  1  0.033193  0.585519  0.525616  1
  Ni  Ni117  1  0.345961  0.835485  0.476966  1
  Ni  Ni118  1  0.502230  0.960804  0.452937  1
  Ni  Ni119  1  0.877522  0.459035  0.549316  1
  Ni  Ni120  1  0.189554  0.709912  0.500922  1
  Ni  Ni121  1  0.701839  0.487034  0.696026  1
  Ni  Ni122  1  0.015339  0.718066  0.647332  1
  Ni  Ni123  1  0.319787  0.962273  0.598088  1
  Ni  Ni124  1  0.203281  0.270652  0.660754  1
  Ni  Ni125  1  0.513541  0.525520  0.612997  1
  Ni  Ni126  1  0.832392  0.994307  0.707612  1
  Ni  Ni127  1  0.141416  0.473190  0.627397  1
  Ni  Ni128  1  0.451439  0.725389  0.579511  1
  Ni  Ni129  1  0.837509  0.225354  0.677310  1
  Ni  Ni130  1  0.993573  0.390955  0.677780  1
  Ni  Ni131  1  0.309541  0.642432  0.627887  1
  Ni  Ni132  1  0.617333  0.889586  0.580360  1
  Ni  Ni133  1  0.367119  0.434021  0.662248  1
  Ni  Ni134  1  0.683518  0.693777  0.613586  1
  Ni  Ni135  1  0.049638  0.147312  0.707702  1
  Ni  Ni136  1  0.596876  0.337298  0.676832  1
  Ni  Ni137  1  0.912385  0.586686  0.623518  1
  Ni  Ni138  1  0.221763  0.835983  0.574087  1
  Ni  Ni139  1  0.751075  0.452842  0.646811  1
  Ni  Ni140  1  0.067251  0.708811  0.597943  1
  Ni  Ni141  1  0.426503  0.185809  0.694926  1
  Ni  Ni142  1  0.515339  0.218066  0.647332  1
  Ni  Ni143  1  0.819787  0.462273  0.598088  1
  Ni  Ni144  1  0.201839  0.987034  0.696026  1
  Ni  Ni145  1  0.332392  0.494307  0.707612  1
  Ni  Ni146  1  0.703281  0.770652  0.660754  1
  Ni  Ni147  1  0.013541  0.025520  0.612997  1
  Ni  Ni148  1  0.951439  0.225389  0.579511  1
  Ni  Ni149  1  0.337509  0.725354  0.677310  1
  Ni  Ni150  1  0.641416  0.973190  0.627397  1
  Ni  Ni151  1  0.117333  0.389586  0.580360  1
  Ni  Ni152  1  0.493573  0.890955  0.677780  1
  Ni  Ni153  1  0.809541  0.142432  0.627887  1
  Ni  Ni154  1  0.183518  0.193777  0.613586  1
  Ni  Ni155  1  0.549638  0.647312  0.707702  1
  Ni  Ni156  1  0.867119  0.934021  0.662248  1
  Ni  Ni157  1  0.721763  0.335983  0.574087  1
  Ni  Ni158  1  0.096876  0.837298  0.676832  1
  Ni  Ni159  1  0.412385  0.086686  0.623518  1
  Ni  Ni160  1  0.567251  0.208811  0.597943  1
  Ni  Ni161  1  0.926503  0.685809  0.694926  1
  Ni  Ni162  1  0.251075  0.952842  0.646811  1
