# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55210832
_cell_length_b   10.08130219
_cell_length_c   53.20394514
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.68830986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3485.74517822
_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  0.338956  0.245874  0.367949  1
  Zr  Zr2  1  0.997039  0.025496  0.306955  1
  Zr  Zr3  1  0.977503  0.655282  0.353884  1
  Zr  Zr4  1  0.323129  0.605956  0.317686  1
  Zr  Zr5  1  0.092107  0.943368  0.388688  1
  Zr  Zr6  1  0.221621  0.314586  0.287396  1
  Zr  Zr7  1  0.810586  0.337738  0.359467  1
  Zr  Zr8  1  0.522472  0.933289  0.309620  1
  Zr  Zr9  1  0.723954  0.787637  0.477702  1
  Zr  Zr10  1  0.375915  0.550776  0.415686  1
  Zr  Zr11  1  0.371592  0.189154  0.465702  1
  Zr  Zr12  1  0.727424  0.147009  0.428689  1
  Zr  Zr13  1  0.477273  0.483801  0.499751  1
  Zr  Zr14  1  0.623257  0.854499  0.393791  1
  Zr  Zr15  1  0.196561  0.879936  0.470210  1
  Zr  Zr16  1  0.902466  0.458515  0.424032  1
  Zr  Zr17  1  0.108883  0.327233  0.589530  1
  Zr  Zr18  1  0.760844  0.090372  0.527513  1
  Zr  Zr19  1  0.757375  0.731000  0.576526  1
  Zr  Zr20  1  0.113206  0.688855  0.539513  1
  Zr  Zr21  1  0.861541  0.023510  0.611424  1
  Zr  Zr22  1  0.007525  0.394209  0.505465  1
  Zr  Zr23  1  0.582332  0.419494  0.581183  1
  Zr  Zr24  1  0.288237  0.998074  0.535006  1
  Zr  Zr25  1  0.487759  0.852513  0.698261  1
  Zr  Zr26  1  0.145842  0.632135  0.637267  1
  Zr  Zr27  1  0.161669  0.272053  0.687529  1
  Zr  Zr28  1  0.507295  0.222727  0.651332  1
  Zr  Zr29  1  0.263177  0.563423  0.717819  1
  Zr  Zr30  1  0.392691  0.934642  0.616527  1
  Zr  Zr31  1  0.962327  0.944720  0.695595  1
  Zr  Zr32  1  0.674212  0.540272  0.645748  1
  Ni  Ni33  1  0.664299  0.136150  0.334460  1
  Ni  Ni34  1  0.715808  0.100860  0.380525  1
  Ni  Ni35  1  0.604076  0.169175  0.289749  1
  Ni  Ni36  1  0.233215  0.800340  0.288968  1
  Ni  Ni37  1  0.097415  0.454860  0.384046  1
  Ni  Ni38  1  0.977946  0.534853  0.298942  1
  Ni  Ni39  1  0.326290  0.720205  0.376258  1
  Ni  Ni40  1  0.130384  0.402718  0.335119  1
  Ni  Ni41  1  0.497568  0.353836  0.321544  1
  Ni  Ni42  1  0.819007  0.916824  0.349252  1
  Ni  Ni43  1  0.577685  0.748965  0.342865  1
  Ni  Ni44  1  0.721022  0.525724  0.330345  1
  Ni  Ni45  1  0.695542  0.584593  0.383992  1
  Ni  Ni46  1  0.618393  0.679125  0.294351  1
  Ni  Ni47  1  0.421508  0.493871  0.361676  1
  Ni  Ni48  1  0.904139  0.770741  0.312071  1
  Ni  Ni49  1  0.291389  0.157631  0.321537  1
  Ni  Ni50  1  0.036956  0.110128  0.351961  1
  Ni  Ni51  1  0.423736  0.993209  0.357545  1
  Ni  Ni52  1  0.880759  0.289959  0.310831  1
  Ni  Ni53  1  0.197731  0.857694  0.337183  1
  Ni  Ni54  1  0.050617  0.669230  0.446778  1
  Ni  Ni55  1  0.102968  0.641227  0.491790  1
  Ni  Ni56  1  0.999056  0.695802  0.401684  1
  Ni  Ni57  1  0.611637  0.343091  0.399540  1
  Ni  Ni58  1  0.494318  0.994229  0.495168  1
  Ni  Ni59  1  0.390445  0.078275  0.405741  1
  Ni  Ni60  1  0.708963  0.256468  0.488704  1
  Ni  Ni61  1  0.521270  0.945852  0.444590  1
  Ni  Ni62  1  0.893491  0.887557  0.432064  1
  Ni  Ni63  1  0.206554  0.449815  0.461588  1
  Ni  Ni64  1  0.971808  0.274449  0.457359  1
  Ni  Ni65  1  0.127645  0.062130  0.436938  1
  Ni  Ni66  1  0.082875  0.123367  0.496320  1
  Ni  Ni67  1  0.015204  0.213484  0.398538  1
  Ni  Ni68  1  0.818080  0.036088  0.471480  1
  Ni  Ni69  1  0.283259  0.301135  0.422607  1
  Ni  Ni70  1  0.675285  0.691877  0.431023  1
  Ni  Ni71  1  0.425856  0.645520  0.462370  1
  Ni  Ni72  1  0.808805  0.530397  0.469831  1
  Ni  Ni73  1  0.292363  0.807738  0.423855  1
  Ni  Ni74  1  0.578710  0.390836  0.449631  1
  Ni  Ni75  1  0.434181  0.208779  0.558437  1
  Ni  Ni76  1  0.485742  0.182207  0.603531  1
  Ni  Ni77  1  0.381831  0.236782  0.513426  1
  Ni  Ni78  1  0.990481  0.883780  0.510047  1
  Ni  Ni79  1  0.873161  0.534919  0.605675  1
  Ni  Ni80  1  0.775835  0.621541  0.516512  1
  Ni  Ni81  1  0.094354  0.799735  0.599475  1
  Ni  Ni82  1  0.906088  0.487173  0.555585  1
  Ni  Ni83  1  0.278244  0.428194  0.543628  1
  Ni  Ni84  1  0.591307  0.990452  0.573151  1
  Ni  Ni85  1  0.357153  0.815879  0.568277  1
  Ni  Ni86  1  0.512990  0.603560  0.547856  1
  Ni  Ni87  1  0.469594  0.664525  0.606678  1
  Ni  Ni88  1  0.401923  0.754642  0.508896  1
  Ni  Ni89  1  0.201540  0.576874  0.582608  1
  Ni  Ni90  1  0.666718  0.841921  0.533735  1
  Ni  Ni91  1  0.058942  0.232490  0.542845  1
  Ni  Ni92  1  0.809513  0.186133  0.574193  1
  Ni  Ni93  1  0.192435  0.070271  0.581361  1
  Ni  Ni94  1  0.675993  0.347612  0.535384  1
  Ni  Ni95  1  0.963528  0.932157  0.560625  1
  Ni  Ni96  1  0.820499  0.741860  0.670755  1
  Ni  Ni97  1  0.880722  0.708834  0.715467  1
  Ni  Ni98  1  0.768990  0.777149  0.624691  1
  Ni  Ni99  1  0.387384  0.423149  0.621169  1
  Ni  Ni100  1  0.251583  0.077669  0.716248  1
  Ni  Ni101  1  0.158508  0.157805  0.628958  1
  Ni  Ni102  1  0.506853  0.343157  0.706273  1
  Ni  Ni103  1  0.287067  0.020316  0.668033  1
  Ni  Ni104  1  0.665791  0.961186  0.655963  1
  Ni  Ni105  1  0.987230  0.524174  0.683672  1
  Ni  Ni106  1  0.763777  0.352285  0.674870  1
  Ni  Ni107  1  0.907113  0.129045  0.662350  1
  Ni  Ni108  1  0.866405  0.198885  0.710864  1
  Ni  Ni109  1  0.789256  0.293417  0.621223  1
  Ni  Ni110  1  0.580659  0.107268  0.693145  1
  Ni  Ni111  1  0.063291  0.384138  0.643540  1
  Ni  Ni112  1  0.447843  0.767881  0.653254  1
  Ni  Ni113  1  0.193409  0.720378  0.683679  1
  Ni  Ni114  1  0.604039  0.588051  0.694385  1
  Ni  Ni115  1  0.061063  0.884800  0.647671  1
  Ni  Ni116  1  0.354414  0.475292  0.670096  1
