# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09714246
_cell_length_b   10.06783756
_cell_length_c   45.64695160
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.87166502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr32 Ni96'
_cell_volume   3729.30699143
_cell_formula_units_Z   32
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  0.687093  0.703356  0.284121  1
  Zr  Zr2  1  0.912099  0.141789  0.307676  1
  Zr  Zr3  1  0.117181  0.920406  0.295630  1
  Zr  Zr4  1  0.360775  0.383445  0.322456  1
  Zr  Zr5  1  0.137919  0.604003  0.338334  1
  Zr  Zr6  1  0.365588  0.059475  0.365851  1
  Zr  Zr7  1  0.585222  0.832450  0.351216  1
  Zr  Zr8  1  0.812967  0.287681  0.380038  1
  Zr  Zr9  1  0.594163  0.515647  0.393818  1
  Zr  Zr10  1  0.824518  0.975094  0.421119  1
  Zr  Zr11  1  0.041525  0.745522  0.407698  1
  Zr  Zr12  1  0.270089  0.203078  0.434814  1
  Zr  Zr13  1  0.052541  0.431494  0.448954  1
  Zr  Zr14  1  0.280905  0.888926  0.476870  1
  Zr  Zr15  1  0.498808  0.660123  0.462979  1
  Zr  Zr16  1  0.728014  0.117867  0.490842  1
  Zr  Zr17  1  0.509692  0.346629  0.504817  1
  Zr  Zr18  1  0.738898  0.804373  0.532681  1
  Zr  Zr19  1  0.956802  0.575569  0.518790  1
  Zr  Zr20  1  0.185166  0.033002  0.546705  1
  Zr  Zr21  1  0.967618  0.261417  0.560845  1
  Zr  Zr22  1  0.196181  0.718974  0.587961  1
  Zr  Zr23  1  0.413188  0.489402  0.574540  1
  Zr  Zr24  1  0.643544  0.948849  0.601841  1
  Zr  Zr25  1  0.424740  0.176815  0.615621  1
  Zr  Zr26  1  0.652484  0.632046  0.644443  1
  Zr  Zr27  1  0.872119  0.405021  0.629808  1
  Zr  Zr28  1  0.099787  0.860492  0.657325  1
  Zr  Zr29  1  0.876932  0.081051  0.673203  1
  Zr  Zr30  1  0.120526  0.544090  0.700029  1
  Zr  Zr31  1  0.325607  0.322707  0.687983  1
  Zr  Zr32  1  0.550613  0.761140  0.711538  1
  Ni  Ni33  1  0.406618  0.650444  0.310277  1
  Ni  Ni34  1  0.199581  0.201059  0.283380  1
  Ni  Ni35  1  0.352445  0.879361  0.323390  1
  Ni  Ni36  1  0.118669  0.419176  0.296562  1
  Ni  Ni37  1  0.857144  0.874576  0.325519  1
  Ni  Ni38  1  0.636725  0.420192  0.297409  1
  Ni  Ni39  1  0.905733  0.644601  0.311477  1
  Ni  Ni40  1  0.676095  0.194623  0.285170  1
  Ni  Ni41  1  0.171538  0.688420  0.285255  1
  Ni  Ni42  1  0.414256  0.148054  0.310170  1
  Ni  Ni43  1  0.615976  0.922968  0.296612  1
  Ni  Ni44  1  0.855114  0.375332  0.323569  1
  Ni  Ni45  1  0.864861  0.559752  0.365133  1
  Ni  Ni46  1  0.641278  0.106869  0.337337  1
  Ni  Ni47  1  0.814396  0.788887  0.379276  1
  Ni  Ni48  1  0.586583  0.332334  0.350383  1
  Ni  Ni49  1  0.313050  0.787641  0.380002  1
  Ni  Ni50  1  0.084321  0.329012  0.351156  1
  Ni  Ni51  1  0.364279  0.558416  0.366148  1
  Ni  Ni52  1  0.139163  0.104579  0.337677  1
  Ni  Ni53  1  0.641697  0.604097  0.337872  1
  Ni  Ni54  1  0.870746  0.062150  0.364739  1
  Ni  Ni55  1  0.081768  0.832243  0.350966  1
  Ni  Ni56  1  0.311075  0.289120  0.378520  1
  Ni  Ni57  1  0.323046  0.474388  0.420740  1
  Ni  Ni58  1  0.094064  0.017646  0.392530  1
  Ni  Ni59  1  0.271677  0.703151  0.434742  1
  Ni  Ni60  1  0.043881  0.246146  0.406488  1
  Ni  Ni61  1  0.770547  0.702505  0.435725  1
  Ni  Ni62  1  0.541864  0.244923  0.407802  1
  Ni  Ni63  1  0.822194  0.473793  0.421989  1
  Ni  Ni64  1  0.594123  0.015731  0.394039  1
  Ni  Ni65  1  0.097077  0.516123  0.393223  1
  Ni  Ni66  1  0.326186  0.974101  0.421337  1
  Ni  Ni67  1  0.539161  0.745482  0.407246  1
  Ni  Ni68  1  0.767831  0.202874  0.435344  1
  Ni  Ni69  1  0.780655  0.389700  0.476706  1
  Ni  Ni70  1  0.551858  0.931963  0.448738  1
  Ni  Ni71  1  0.729040  0.618656  0.490529  1
  Ni  Ni72  1  0.500169  0.160950  0.462630  1
  Ni  Ni73  1  0.228282  0.616901  0.491279  1
  Ni  Ni74  1  0.999919  0.160031  0.463458  1
  Ni  Ni75  1  0.279699  0.388280  0.477409  1
  Ni  Ni76  1  0.051087  0.931349  0.449538  1
  Ni  Ni77  1  0.554742  0.431426  0.449321  1
  Ni  Ni78  1  0.783839  0.889302  0.476933  1
  Ni  Ni79  1  0.996376  0.660395  0.463185  1
  Ni  Ni80  1  0.225260  0.117992  0.490790  1
  Ni  Ni81  1  0.237788  0.304465  0.532201  1
  Ni  Ni82  1  0.009424  0.847595  0.504380  1
  Ni  Ni83  1  0.186619  0.533147  0.546121  1
  Ni  Ni84  1  0.958008  0.076216  0.518250  1
  Ni  Ni85  1  0.685848  0.532533  0.546921  1
  Ni  Ni86  1  0.457052  0.074795  0.518953  1
  Ni  Ni87  1  0.737538  0.303546  0.533029  1
  Ni  Ni88  1  0.508667  0.845840  0.505130  1
  Ni  Ni89  1  0.012447  0.346504  0.504869  1
  Ni  Ni90  1  0.241330  0.804101  0.532474  1
  Ni  Ni91  1  0.453867  0.575194  0.518726  1
  Ni  Ni92  1  0.682965  0.033070  0.546338  1
  Ni  Ni93  1  0.695843  0.219573  0.587857  1
  Ni  Ni94  1  0.467160  0.761991  0.559934  1
  Ni  Ni95  1  0.643583  0.448765  0.601620  1
  Ni  Ni96  1  0.415513  0.990703  0.573670  1
  Ni  Ni97  1  0.143643  0.446850  0.603129  1
  Ni  Ni98  1  0.914660  0.990107  0.574919  1
  Ni  Ni99  1  0.193825  0.218350  0.589172  1
  Ni  Ni100  1  0.966030  0.761345  0.560917  1
  Ni  Ni101  1  0.469876  0.261622  0.560315  1
  Ni  Ni102  1  0.698546  0.719014  0.588414  1
  Ni  Ni103  1  0.911521  0.490395  0.574322  1
  Ni  Ni104  1  0.140630  0.948373  0.602436  1
  Ni  Ni105  1  0.153386  0.135483  0.644503  1
  Ni  Ni106  1  0.924657  0.676855  0.615657  1
  Ni  Ni107  1  0.098544  0.359917  0.657982  1
  Ni  Ni108  1  0.873428  0.906080  0.629511  1
  Ni  Ni109  1  0.596429  0.357627  0.658322  1
  Ni  Ni110  1  0.372845  0.904744  0.630526  1
  Ni  Ni111  1  0.651123  0.132162  0.645276  1
  Ni  Ni112  1  0.423310  0.675609  0.616383  1
  Ni  Ni113  1  0.926631  0.175376  0.617139  1
  Ni  Ni114  1  0.155939  0.632253  0.644693  1
  Ni  Ni115  1  0.366961  0.402346  0.630920  1
  Ni  Ni116  1  0.596010  0.860398  0.657787  1
  Ni  Ni117  1  0.600981  0.044304  0.698250  1
  Ni  Ni118  1  0.380563  0.589920  0.670140  1
  Ni  Ni119  1  0.561612  0.269872  0.710490  1
  Ni  Ni120  1  0.331973  0.819894  0.684182  1
  Ni  Ni121  1  0.038125  0.263436  0.712279  1
  Ni  Ni122  1  0.831089  0.814052  0.685382  1
  Ni  Ni123  1  0.119037  0.045320  0.699097  1
  Ni  Ni124  1  0.885262  0.585135  0.672269  1
  Ni  Ni125  1  0.382593  0.089164  0.672090  1
  Ni  Ni126  1  0.621731  0.541528  0.699048  1
  Ni  Ni127  1  0.823450  0.316442  0.685490  1
  Ni  Ni128  1  0.066169  0.776076  0.710404  1
