# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62900267
_cell_length_b   8.52945703
_cell_length_c   53.48631821
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.57037325
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3474.18827491
_cell_formula_units_Z   4
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  0.729305  0.406308  0.289893  1
  Zr  Zr2  1  0.900410  0.730368  0.357767  1
  Zr  Zr3  1  0.236015  0.110772  0.285367  1
  Zr  Zr4  1  0.420956  0.054951  0.362021  1
  Zr  Zr5  1  0.400831  0.464104  0.346590  1
  Zr  Zr6  1  0.227868  0.667920  0.299976  1
  Zr  Zr7  1  0.911845  0.227530  0.337696  1
  Zr  Zr8  1  0.725588  0.910820  0.305728  1
  Zr  Zr9  1  0.895885  0.120953  0.399184  1
  Zr  Zr10  1  0.072389  0.439744  0.469788  1
  Zr  Zr11  1  0.370450  0.791079  0.396107  1
  Zr  Zr12  1  0.600758  0.768398  0.473060  1
  Zr  Zr13  1  0.574970  0.178981  0.458913  1
  Zr  Zr14  1  0.394520  0.381325  0.410079  1
  Zr  Zr15  1  0.087777  0.940973  0.449804  1
  Zr  Zr16  1  0.881131  0.619613  0.419225  1
  Zr  Zr17  1  0.071624  0.833057  0.511124  1
  Zr  Zr18  1  0.247233  0.152098  0.581801  1
  Zr  Zr19  1  0.543144  0.504359  0.507830  1
  Zr  Zr20  1  0.772800  0.481312  0.584613  1
  Zr  Zr21  1  0.748217  0.891256  0.570754  1
  Zr  Zr22  1  0.568727  0.093835  0.521915  1
  Zr  Zr23  1  0.262500  0.652427  0.561717  1
  Zr  Zr24  1  0.056360  0.331960  0.531113  1
  Zr  Zr25  1  0.243267  0.543184  0.623218  1
  Zr  Zr26  1  0.420369  0.873185  0.690361  1
  Zr  Zr27  1  0.717260  0.218163  0.618684  1
  Zr  Zr28  1  0.917788  0.159700  0.694880  1
  Zr  Zr29  1  0.919015  0.609280  0.680201  1
  Zr  Zr30  1  0.740478  0.810559  0.634244  1
  Zr  Zr31  1  0.423737  0.371192  0.675905  1
  Zr  Zr32  1  0.231190  0.042626  0.643056  1
  Ni  Ni33  1  0.744222  0.701363  0.267950  1
  Ni  Ni34  1  0.631112  0.277273  0.372126  1
  Ni  Ni35  1  0.018449  0.864683  0.275520  1
  Ni  Ni36  1  0.752305  1.007249  0.355158  1
  Ni  Ni37  1  0.898034  0.137285  0.288888  1
  Ni  Ni38  1  0.394285  0.384550  0.297447  1
  Ni  Ni39  1  0.243185  0.752372  0.348237  1
  Ni  Ni40  1  0.068178  0.384966  0.297867  1
  Ni  Ni41  1  0.178012  0.281038  0.373540  1
  Ni  Ni42  1  0.440577  0.853143  0.273274  1
  Ni  Ni43  1  0.397872  0.934653  0.316833  1
  Ni  Ni44  1  0.235182  0.203696  0.328441  1
  Ni  Ni45  1  0.064597  0.939684  0.320376  1
  Ni  Ni46  1  0.571786  0.199372  0.323677  1
  Ni  Ni47  1  0.099892  0.996954  0.364833  1
  Ni  Ni48  1  0.562524  0.133329  0.279293  1
  Ni  Ni49  1  0.901881  0.648468  0.308098  1
  Ni  Ni50  1  0.728163  0.489498  0.338192  1
  Ni  Ni51  1  0.556485  0.652136  0.306863  1
  Ni  Ni52  1  0.074866  0.488698  0.339433  1
  Ni  Ni53  1  0.563518  0.762897  0.348734  1
  Ni  Ni54  1  0.896796  0.425426  0.378647  1
  Ni  Ni55  1  0.805873  0.990421  0.484003  1
  Ni  Ni56  1  0.164785  0.571003  0.385106  1
  Ni  Ni57  1  0.932454  0.719725  0.467119  1
  Ni  Ni58  1  0.037621  0.840642  0.402182  1
  Ni  Ni59  1  0.556100  0.097781  0.408867  1
  Ni  Ni60  1  0.413249  0.462335  0.460139  1
  Ni  Ni61  1  0.234073  0.086025  0.408297  1
  Ni  Ni62  1  0.354156  0.993178  0.485059  1
  Ni  Ni63  1  0.614168  0.567079  0.383596  1
  Ni  Ni64  1  0.557213  0.643379  0.429061  1
  Ni  Ni65  1  0.412190  0.915903  0.439965  1
  Ni  Ni66  1  0.215381  0.638677  0.432960  1
  Ni  Ni67  1  0.753820  0.921367  0.436079  1
  Ni  Ni68  1  0.277889  0.710091  0.476231  1
  Ni  Ni69  1  0.692207  0.850082  0.392716  1
  Ni  Ni70  1  0.068384  0.357892  0.419137  1
  Ni  Ni71  1  0.900633  0.203488  0.449885  1
  Ni  Ni72  1  0.720344  0.361037  0.418416  1
  Ni  Ni73  1  0.248705  0.199964  0.450597  1
  Ni  Ni74  1  0.734557  0.474404  0.460973  1
  Ni  Ni75  1  0.072086  0.136414  0.490459  1
  Ni  Ni76  1  0.978101  0.701946  0.595650  1
  Ni  Ni77  1  0.338171  0.282395  0.496904  1
  Ni  Ni78  1  0.105821  0.432042  0.578856  1
  Ni  Ni79  1  0.211636  0.553108  0.513756  1
  Ni  Ni80  1  0.730516  0.810358  0.520737  1
  Ni  Ni81  1  0.587160  0.174412  0.571757  1
  Ni  Ni82  1  0.409195  0.798415  0.519914  1
  Ni  Ni83  1  0.529355  0.705046  0.597283  1
  Ni  Ni84  1  0.789820  0.279589  0.495793  1
  Ni  Ni85  1  0.731679  0.356814  0.540822  1
  Ni  Ni86  1  0.586207  0.629198  0.551792  1
  Ni  Ni87  1  0.390162  0.351854  0.544906  1
  Ni  Ni88  1  0.928280  0.634057  0.547903  1
  Ni  Ni89  1  0.450391  0.420287  0.588643  1
  Ni  Ni90  1  0.866079  0.562701  0.504636  1
  Ni  Ni91  1  0.243241  0.069611  0.531041  1
  Ni  Ni92  1  0.074860  0.914810  0.561699  1
  Ni  Ni93  1  0.894976  0.072818  0.530259  1
  Ni  Ni94  1  0.422527  0.911376  0.562426  1
  Ni  Ni95  1  0.908779  0.186675  0.572509  1
  Ni  Ni96  1  0.246345  0.846762  0.602159  1
  Ni  Ni97  1  0.111600  0.404249  0.704308  1
  Ni  Ni98  1  0.510254  0.996954  0.608748  1
  Ni  Ni99  1  0.256924  0.140288  0.690591  1
  Ni  Ni100  1  0.384007  0.267895  0.627120  1
  Ni  Ni101  1  0.899949  0.521151  0.632268  1
  Ni  Ni102  1  0.752703  0.890828  0.683160  1
  Ni  Ni103  1  0.580397  0.509781  0.632287  1
  Ni  Ni104  1  0.727855  0.417168  0.706756  1
  Ni  Ni105  1  0.964497  0.991447  0.607158  1
  Ni  Ni106  1  0.908328  0.070481  0.651912  1
  Ni  Ni107  1  0.750229  0.338821  0.663743  1
  Ni  Ni108  1  0.570607  0.078396  0.657421  1
  Ni  Ni109  1  0.085626  0.336096  0.659892  1
  Ni  Ni110  1  0.590951  0.144145  0.701455  1
  Ni  Ni111  1  0.040149  0.274957  0.615999  1
  Ni  Ni112  1  0.415514  0.780719  0.642669  1
  Ni  Ni113  1  0.246217  0.628353  0.673360  1
  Ni  Ni114  1  0.068527  0.783704  0.641358  1
  Ni  Ni115  1  0.593876  0.622848  0.673946  1
  Ni  Ni116  1  0.080133  0.890451  0.682826  1
