# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84627386
_cell_length_b   11.20463491
_cell_length_c   48.73682242
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.71488331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr40 Ni105'
_cell_volume   4712.29547245
_cell_formula_units_Z   5
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  0.593015  0.207230  0.368937  1
  Zr  Zr2  1  0.571021  0.978647  0.303793  1
  Zr  Zr3  1  0.672282  0.837007  0.375418  1
  Zr  Zr4  1  0.426392  0.319666  0.298888  1
  Zr  Zr5  1  0.726928  0.655059  0.314788  1
  Zr  Zr6  1  0.420097  0.541016  0.356932  1
  Zr  Zr7  1  0.903622  0.324472  0.328141  1
  Zr  Zr8  1  0.242503  0.859985  0.340835  1
  Zr  Zr9  1  0.102814  0.868174  0.451072  1
  Zr  Zr10  1  0.059427  0.637440  0.383991  1
  Zr  Zr11  1  0.176770  0.497824  0.459484  1
  Zr  Zr12  1  0.984583  0.009961  0.372366  1
  Zr  Zr13  1  0.230529  0.306371  0.395795  1
  Zr  Zr14  1  0.926215  0.199590  0.439665  1
  Zr  Zr15  1  0.413228  0.978415  0.411573  1
  Zr  Zr16  1  0.746759  0.527778  0.424614  1
  Zr  Zr17  1  0.611452  0.528490  0.534949  1
  Zr  Zr18  1  0.563250  0.299574  0.466971  1
  Zr  Zr19  1  0.685318  0.158943  0.542411  1
  Zr  Zr20  1  0.490063  0.669134  0.459446  1
  Zr  Zr21  1  0.741481  0.967438  0.478634  1
  Zr  Zr22  1  0.433250  0.860454  0.523218  1
  Zr  Zr23  1  0.922820  0.640938  0.494488  1
  Zr  Zr24  1  0.251739  0.187167  0.507459  1
  Zr  Zr25  1  0.115186  0.190203  0.617862  1
  Zr  Zr26  1  0.071028  0.959833  0.550875  1
  Zr  Zr27  1  0.191359  0.818197  0.629089  1
  Zr  Zr28  1  0.998670  0.330581  0.542244  1
  Zr  Zr29  1  0.248818  0.628200  0.562181  1
  Zr  Zr30  1  0.944595  0.521979  0.605922  1
  Zr  Zr31  1  0.428023  0.299766  0.577112  1
  Zr  Zr32  1  0.761043  0.849651  0.590674  1
  Zr  Zr33  1  0.596536  0.843116  0.697613  1
  Zr  Zr34  1  0.582487  0.621016  0.633198  1
  Zr  Zr35  1  0.749553  0.510355  0.703255  1
  Zr  Zr36  1  0.507309  0.992629  0.627347  1
  Zr  Zr37  1  0.755215  0.285218  0.644651  1
  Zr  Zr38  1  0.449965  0.172753  0.686470  1
  Zr  Zr39  1  0.934713  0.967243  0.661395  1
  Zr  Zr40  1  0.269775  0.501631  0.673612  1
  Ni  Ni41  1  0.324848  0.759160  0.292943  1
  Ni  Ni42  1  0.642616  0.426164  0.335482  1
  Ni  Ni43  1  0.498490  0.762249  0.331590  1
  Ni  Ni44  1  0.632034  0.204049  0.314840  1
  Ni  Ni45  1  0.504820  0.977756  0.356236  1
  Ni  Ni46  1  0.375401  0.300370  0.349408  1
  Ni  Ni47  1  0.788418  0.886801  0.324256  1
  Ni  Ni48  1  0.205219  0.406752  0.320081  1
  Ni  Ni49  1  0.429315  0.565614  0.302025  1
  Ni  Ni50  1  0.730183  0.611038  0.368599  1
  Ni  Ni51  1  0.055335  0.978209  0.320185  1
  Ni  Ni52  1  0.106844  0.197998  0.340304  1
  Ni  Ni53  1  0.883680  0.105867  0.303798  1
  Ni  Ni54  1  0.281161  0.088544  0.372425  1
  Ni  Ni55  1  0.776681  0.083655  0.346943  1
  Ni  Ni56  1  0.343343  0.099976  0.324472  1
  Ni  Ni57  1  0.207572  0.623533  0.331715  1
  Ni  Ni58  1  0.937221  0.558693  0.335478  1
  Ni  Ni59  1  0.032653  0.749665  0.306221  1
  Ni  Ni60  1  0.103599  0.431946  0.363889  1
  Ni  Ni61  1  0.944907  0.779726  0.352595  1
  Ni  Ni62  1  0.823353  0.420421  0.375336  1
  Ni  Ni63  1  0.152678  0.085069  0.419607  1
  Ni  Ni64  1  0.003290  0.419988  0.414860  1
  Ni  Ni65  1  0.138062  0.869304  0.394876  1
  Ni  Ni66  1  0.021392  0.639180  0.439542  1
  Ni  Ni67  1  0.888017  0.961631  0.428443  1
  Ni  Ni68  1  0.275361  0.544995  0.406688  1
  Ni  Ni69  1  0.717175  0.063129  0.401405  1
  Ni  Ni70  1  0.927981  0.232615  0.382378  1
  Ni  Ni71  1  0.232782  0.272078  0.451498  1
  Ni  Ni72  1  0.546139  0.646166  0.406965  1
  Ni  Ni73  1  0.617674  0.860783  0.428992  1
  Ni  Ni74  1  0.370057  0.755789  0.380630  1
  Ni  Ni75  1  0.793624  0.751803  0.455756  1
  Ni  Ni76  1  0.300874  0.745343  0.428460  1
  Ni  Ni77  1  0.858870  0.760587  0.407724  1
  Ni  Ni78  1  0.718118  0.287835  0.417127  1
  Ni  Ni79  1  0.441565  0.219176  0.418262  1
  Ni  Ni80  1  0.547114  0.413906  0.389685  1
  Ni  Ni81  1  0.612519  0.094676  0.446533  1
  Ni  Ni82  1  0.443813  0.443417  0.435195  1
  Ni  Ni83  1  0.331193  0.083881  0.459209  1
  Ni  Ni84  1  0.663285  0.746689  0.503750  1
  Ni  Ni85  1  0.511408  0.081401  0.498210  1
  Ni  Ni86  1  0.646505  0.527202  0.479674  1
  Ni  Ni87  1  0.528427  0.300896  0.522165  1
  Ni  Ni88  1  0.394176  0.622426  0.512685  1
  Ni  Ni89  1  0.780657  0.205617  0.489128  1
  Ni  Ni90  1  0.223248  0.724703  0.483830  1
  Ni  Ni91  1  0.433767  0.895446  0.466980  1
  Ni  Ni92  1  0.740739  0.932682  0.535021  1
  Ni  Ni93  1  0.049126  0.305427  0.489472  1
  Ni  Ni94  1  0.125716  0.522650  0.512280  1
  Ni  Ni95  1  0.873817  0.415597  0.462844  1
  Ni  Ni96  1  0.301248  0.412504  0.538981  1
  Ni  Ni97  1  0.810340  0.406396  0.511159  1
  Ni  Ni98  1  0.364251  0.421585  0.490656  1
  Ni  Ni99  1  0.223701  0.948198  0.500277  1
  Ni  Ni100  1  0.950840  0.879903  0.501710  1
  Ni  Ni101  1  0.052303  0.072659  0.471771  1
  Ni  Ni102  1  0.122043  0.755210  0.530098  1
  Ni  Ni103  1  0.951329  0.103383  0.518031  1
  Ni  Ni104  1  0.842873  0.744282  0.542789  1
  Ni  Ni105  1  0.171950  0.407875  0.587013  1
  Ni  Ni106  1  0.021800  0.743072  0.582244  1
  Ni  Ni107  1  0.152568  0.188292  0.562432  1
  Ni  Ni108  1  0.035736  0.958435  0.607166  1
  Ni  Ni109  1  0.899970  0.283058  0.595008  1
  Ni  Ni110  1  0.286554  0.865951  0.573180  1
  Ni  Ni111  1  0.731150  0.384529  0.566626  1
  Ni  Ni112  1  0.941830  0.555935  0.550293  1
  Ni  Ni113  1  0.247089  0.594825  0.619502  1
  Ni  Ni114  1  0.556290  0.967242  0.573094  1
  Ni  Ni115  1  0.629749  0.181146  0.594864  1
  Ni  Ni116  1  0.380981  0.076092  0.546110  1
  Ni  Ni117  1  0.807435  0.072543  0.622176  1
  Ni  Ni118  1  0.317077  0.066146  0.594255  1
  Ni  Ni119  1  0.872461  0.081981  0.573885  1
  Ni  Ni120  1  0.733131  0.608895  0.583656  1
  Ni  Ni121  1  0.456945  0.540134  0.584807  1
  Ni  Ni122  1  0.562005  0.733566  0.555460  1
  Ni  Ni123  1  0.628108  0.413933  0.612130  1
  Ni  Ni124  1  0.457442  0.765307  0.600613  1
  Ni  Ni125  1  0.351796  0.407860  0.626580  1
  Ni  Ni126  1  0.682442  0.063865  0.672447  1
  Ni  Ni127  1  0.533269  0.400798  0.666472  1
  Ni  Ni128  1  0.672077  0.850483  0.645939  1
  Ni  Ni129  1  0.540771  0.620763  0.687081  1
  Ni  Ni130  1  0.384215  0.941341  0.678075  1
  Ni  Ni131  1  0.798908  0.525687  0.652535  1
  Ni  Ni132  1  0.231655  0.047264  0.648477  1
  Ni  Ni133  1  0.444583  0.217847  0.632907  1
  Ni  Ni134  1  0.741728  0.269674  0.698929  1
  Ni  Ni135  1  0.067024  0.628501  0.661170  1
  Ni  Ni136  1  0.118568  0.845782  0.680963  1
  Ni  Ni137  1  0.894579  0.739381  0.629634  1
  Ni  Ni138  1  0.287737  0.719103  0.698003  1
  Ni  Ni139  1  0.829760  0.727045  0.677378  1
  Ni  Ni140  1  0.397083  0.743909  0.654972  1
  Ni  Ni141  1  0.237956  0.267564  0.666207  1
  Ni  Ni142  1  0.968376  0.203421  0.670974  1
  Ni  Ni143  1  0.070138  0.394496  0.637936  1
  Ni  Ni144  1  0.154710  0.074028  0.694830  1
  Ni  Ni145  1  0.969246  0.420895  0.681714  1
