# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41821269
_cell_length_b   9.41739695
_cell_length_c   51.77011110
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr24 Ni120'
_cell_volume   3976.5742792
_cell_formula_units_Z   24
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  0.101122  0.803559  0.324815  1
  Zr  Zr2  1  0.100975  0.303705  0.324689  1
  Zr  Zr3  1  0.600975  0.303267  0.324689  1
  Zr  Zr4  1  0.601414  0.803706  0.324689  1
  Zr  Zr5  1  0.434462  0.470223  0.406253  1
  Zr  Zr6  1  0.434478  0.970195  0.406212  1
  Zr  Zr7  1  0.934490  0.970268  0.406212  1
  Zr  Zr8  1  0.934418  0.470207  0.406212  1
  Zr  Zr9  1  0.767807  0.136900  0.484127  1
  Zr  Zr10  1  0.768312  0.637040  0.484031  1
  Zr  Zr11  1  0.267667  0.637266  0.484031  1
  Zr  Zr12  1  0.267443  0.136397  0.484031  1
  Zr  Zr13  1  0.101150  0.803579  0.561067  1
  Zr  Zr14  1  0.098796  0.302977  0.561921  1
  Zr  Zr15  1  0.601745  0.301816  0.561920  1
  Zr  Zr16  1  0.602902  0.805936  0.561920  1
  Zr  Zr17  1  0.434496  0.470259  0.637062  1
  Zr  Zr18  1  0.440178  0.979309  0.638604  1
  Zr  Zr19  1  0.925470  0.966906  0.638605  1
  Zr  Zr20  1  0.937844  0.464556  0.638604  1
  Zr  Zr21  1  0.767879  0.136958  0.714604  1
  Zr  Zr22  1  0.742469  0.574339  0.707385  1
  Zr  Zr23  1  0.330390  0.674130  0.707389  1
  Zr  Zr24  1  0.230604  0.162268  0.707390  1
  Ni  Ni25  1  0.267679  0.136968  0.320590  1
  Ni  Ni26  1  0.927084  0.802259  0.283101  1
  Ni  Ni27  1  0.602181  0.130132  0.283032  1
  Ni  Ni28  1  0.934593  0.970263  0.319524  1
  Ni  Ni29  1  0.273915  0.977589  0.283100  1
  Ni  Ni30  1  0.267975  0.636999  0.320590  1
  Ni  Ni31  1  0.926688  0.302497  0.283031  1
  Ni  Ni32  1  0.602464  0.630388  0.283044  1
  Ni  Ni33  1  0.934411  0.470320  0.319524  1
  Ni  Ni34  1  0.274293  0.478013  0.283044  1
  Ni  Ni35  1  0.767709  0.636703  0.320590  1
  Ni  Ni36  1  0.426661  0.302214  0.283044  1
  Ni  Ni37  1  0.102418  0.630764  0.283101  1
  Ni  Ni38  1  0.434454  0.470222  0.319507  1
  Ni  Ni39  1  0.774209  0.477840  0.283047  1
  Ni  Ni40  1  0.767788  0.136891  0.320551  1
  Ni  Ni41  1  0.426834  0.802304  0.283047  1
  Ni  Ni42  1  0.102374  0.130469  0.283047  1
  Ni  Ni43  1  0.434356  0.970082  0.319524  1
  Ni  Ni44  1  0.774548  0.977985  0.283031  1
  Ni  Ni45  1  0.601192  0.803701  0.391826  1
  Ni  Ni46  1  0.399050  0.599831  0.359879  1
  Ni  Ni47  1  0.805063  0.804919  0.359885  1
  Ni  Ni48  1  0.267933  0.636668  0.396981  1
  Ni  Ni49  1  0.599422  0.505621  0.359880  1
  Ni  Ni50  1  0.601199  0.303481  0.391827  1
  Ni  Ni51  1  0.398507  0.099620  0.359885  1
  Ni  Ni52  1  0.805114  0.304956  0.359876  1
  Ni  Ni53  1  0.268004  0.137250  0.396981  1
  Ni  Ni54  1  0.599717  1.006178  0.359876  1
  Ni  Ni55  1  0.100972  0.303475  0.391827  1
  Ni  Ni56  1  0.898495  0.099570  0.359876  1
  Ni  Ni57  1  0.304850  0.305249  0.359880  1
  Ni  Ni58  1  0.767788  0.136886  0.396995  1
  Ni  Ni59  1  0.099632  1.006519  0.359903  1
  Ni  Ni60  1  0.101122  0.803553  0.391729  1
  Ni  Ni61  1  0.898151  0.599142  0.359903  1
  Ni  Ni62  1  0.305541  0.805040  0.359903  1
  Ni  Ni63  1  0.767422  0.636738  0.396981  1
  Ni  Ni64  1  0.099754  0.506163  0.359885  1
  Ni  Ni65  1  0.934352  0.469925  0.464652  1
  Ni  Ni66  1  0.679178  0.215517  0.436157  1
  Ni  Ni67  1  0.189186  0.469578  0.436160  1
  Ni  Ni68  1  0.601054  0.303613  0.474569  1
  Ni  Ni69  1  0.935039  0.225503  0.436157  1
  Ni  Ni70  1  0.934271  0.970338  0.464652  1
  Ni  Ni71  1  0.679094  0.715493  0.436161  1
  Ni  Ni72  1  0.189295  0.969591  0.436053  1
  Ni  Ni73  1  0.601075  0.803428  0.474569  1
  Ni  Ni74  1  0.935087  0.725684  0.436054  1
  Ni  Ni75  1  0.434765  0.970419  0.464652  1
  Ni  Ni76  1  0.178998  0.715385  0.436054  1
  Ni  Ni77  1  0.689163  0.969640  0.436156  1
  Ni  Ni78  1  0.101127  0.803557  0.474502  1
  Ni  Ni79  1  0.435015  0.725631  0.436163  1
  Ni  Ni80  1  0.434463  0.470227  0.464822  1
  Ni  Ni81  1  0.179051  0.215366  0.436164  1
  Ni  Ni82  1  0.689314  0.469663  0.436163  1
  Ni  Ni83  1  0.101258  0.303633  0.474569  1
  Ni  Ni84  1  0.435100  0.225587  0.436161  1
  Ni  Ni85  1  0.267808  0.137948  0.542195  1
  Ni  Ni86  1  0.018308  0.888679  0.513416  1
  Ni  Ni87  1  0.516317  0.135757  0.513509  1
  Ni  Ni88  1  0.933938  0.971266  0.551909  1
  Ni  Ni89  1  0.269074  0.886392  0.513416  1
  Ni  Ni90  1  0.268850  0.636899  0.542195  1
  Ni  Ni91  1  0.018151  0.388384  0.513510  1
  Ni  Ni92  1  0.517072  0.635988  0.513475  1
  Ni  Ni93  1  0.933443  0.468666  0.551909  1
  Ni  Ni94  1  0.268707  0.387074  0.513476  1
  Ni  Ni95  1  0.766761  0.635857  0.542195  1
  Ni  Ni96  1  0.517625  0.387626  0.513476  1
  Ni  Ni97  1  1.016022  0.635622  0.513417  1
  Ni  Ni98  1  0.434473  0.470235  0.551868  1
  Ni  Ni99  1  0.768179  0.386318  0.513596  1
  Ni  Ni100  1  0.767808  0.136901  0.542050  1
  Ni  Ni101  1  0.518379  0.887852  0.513595  1
  Ni  Ni102  1  1.016846  0.136519  0.513596  1
  Ni  Ni103  1  0.436034  0.970766  0.551908  1
  Ni  Ni104  1  0.768938  0.886550  0.513510  1
  Ni  Ni105  1  0.600074  0.802219  0.619044  1
  Ni  Ni106  1  0.349710  0.553675  0.590620  1
  Ni  Ni107  1  0.852108  0.802435  0.590432  1
  Ni  Ni108  1  0.265649  0.638887  0.628891  1
  Ni  Ni109  1  0.602683  0.555017  0.590619  1
  Ni  Ni110  1  0.600869  0.304671  0.619040  1
  Ni  Ni111  1  0.349050  0.052618  0.590432  1
  Ni  Ni112  1  0.851017  0.302048  0.591741  1
  Ni  Ni113  1  0.265853  0.132770  0.628892  1
  Ni  Ni114  1  0.602659  0.054961  0.591740  1
  Ni  Ni115  1  0.102528  0.303866  0.619043  1
  Ni  Ni116  1  0.849751  0.053693  0.591742  1
  Ni  Ni117  1  0.351054  0.302041  0.590621  1
  Ni  Ni118  1  0.767796  0.136893  0.631528  1
  Ni  Ni119  1  0.101252  0.054073  0.590680  1
  Ni  Ni120  1  0.101143  0.803569  0.619649  1
  Ni  Ni121  1  0.850648  0.553177  0.590679  1
  Ni  Ni122  1  0.351531  0.803467  0.590679  1
  Ni  Ni123  1  0.771961  0.639089  0.628890  1
  Ni  Ni124  1  0.102280  0.555666  0.590434  1
  Ni  Ni125  1  0.950933  0.478879  0.692264  1
  Ni  Ni126  1  0.688015  0.226050  0.671726  1
  Ni  Ni127  1  0.188019  0.472264  0.668272  1
  Ni  Ni128  1  0.560803  0.271281  0.710190  1
  Ni  Ni129  1  0.936776  0.216738  0.671722  1
  Ni  Ni130  1  0.926676  0.953811  0.692265  1
  Ni  Ni131  1  0.682977  0.716737  0.668270  1
  Ni  Ni132  1  0.177842  0.968341  0.667820  1
  Ni  Ni133  1  0.633434  0.795519  0.710188  1
  Ni  Ni134  1  0.936395  0.715505  0.667815  1
  Ni  Ni135  1  0.425875  0.978052  0.692264  1
  Ni  Ni136  1  0.189228  0.726902  0.667817  1
  Ni  Ni137  1  0.678707  0.967983  0.671726  1
  Ni  Ni138  1  0.101133  0.803565  0.708137  1
  Ni  Ni139  1  0.447177  0.726316  0.664855  1
  Ni  Ni140  1  0.434501  0.470259  0.689989  1
  Ni  Ni141  1  0.178461  0.226899  0.664856  1
  Ni  Ni142  1  0.677843  0.457562  0.664851  1
  Ni  Ni143  1  0.109218  0.343933  0.710187  1
  Ni  Ni144  1  0.432486  0.221761  0.668274  1
