# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23955066
_cell_length_b   13.90871795
_cell_length_c   47.79092618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.88554030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr30 Ni90'
_cell_volume   3420.1165884
_cell_formula_units_Z   30
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  0.339295  0.670692  0.336742  1
  Zr  Zr2  1  0.046863  0.085877  0.276569  1
  Zr  Zr3  1  0.193577  0.379227  0.304168  1
  Zr  Zr4  1  0.932028  0.856315  0.322381  1
  Zr  Zr5  1  0.079591  0.151345  0.352402  1
  Zr  Zr6  1  0.782970  0.558162  0.291948  1
  Zr  Zr7  1  0.783220  0.558521  0.427653  1
  Zr  Zr8  1  0.486907  0.965911  0.367762  1
  Zr  Zr9  1  0.635202  0.262484  0.397628  1
  Zr  Zr10  1  0.375605  0.743365  0.412838  1
  Zr  Zr11  1  0.523985  0.040104  0.443338  1
  Zr  Zr12  1  0.227256  0.446668  0.382842  1
  Zr  Zr13  1  0.228102  0.448274  0.518875  1
  Zr  Zr14  1  0.931482  0.855041  0.458284  1
  Zr  Zr15  1  0.079853  0.151773  0.488629  1
  Zr  Zr16  1  0.820469  0.633072  0.503915  1
  Zr  Zr17  1  0.968839  0.929804  0.534260  1
  Zr  Zr18  1  0.672219  0.336571  0.473669  1
  Zr  Zr19  1  0.673066  0.338177  0.609702  1
  Zr  Zr20  1  0.376336  0.744741  0.549206  1
  Zr  Zr21  1  0.524717  0.041480  0.579706  1
  Zr  Zr22  1  0.265120  0.522361  0.594916  1
  Zr  Zr23  1  0.413414  0.818934  0.624782  1
  Zr  Zr24  1  0.117102  0.226324  0.564891  1
  Zr  Zr25  1  0.117351  0.226683  0.700596  1
  Zr  Zr26  1  0.820730  0.633500  0.640142  1
  Zr  Zr27  1  0.968294  0.928530  0.670163  1
  Zr  Zr28  1  0.706745  0.405618  0.688376  1
  Zr  Zr29  1  0.853459  0.698968  0.715975  1
  Zr  Zr30  1  0.561027  0.114153  0.655802  1
  Ni  Ni31  1  0.620590  0.730338  0.291186  1
  Ni  Ni32  1  0.766044  0.024748  0.320916  1
  Ni  Ni33  1  0.914430  0.319297  0.350783  1
  Ni  Ni34  1  0.432863  0.858010  0.321336  1
  Ni  Ni35  1  0.580348  0.152879  0.351433  1
  Ni  Ni36  1  0.286608  0.565454  0.293796  1
  Ni  Ni37  1  0.212813  0.915301  0.277752  1
  Ni  Ni38  1  0.361919  0.209258  0.307487  1
  Ni  Ni39  1  0.508435  0.501630  0.337180  1
  Ni  Ni40  1  0.837730  0.667536  0.336688  1
  Ni  Ni41  1  0.543397  0.078962  0.278892  1
  Ni  Ni42  1  0.690198  0.372454  0.308596  1
  Ni  Ni43  1  0.117736  0.730332  0.291187  1
  Ni  Ni44  1  0.266596  0.024745  0.320918  1
  Ni  Ni45  1  0.412790  0.319297  0.350783  1
  Ni  Ni46  1  0.709984  0.915305  0.277752  1
  Ni  Ni47  1  0.855199  0.209262  0.307487  1
  Ni  Ni48  1  1.000984  0.501630  0.337182  1
  Ni  Ni49  1  0.057113  0.613819  0.381862  1
  Ni  Ni50  1  0.205547  0.910567  0.412617  1
  Ni  Ni51  1  0.354117  0.207474  0.442850  1
  Ni  Ni52  1  0.875686  0.743551  0.412596  1
  Ni  Ni53  1  0.024152  0.040460  0.443022  1
  Ni  Ni54  1  0.727143  0.446471  0.381663  1
  Ni  Ni55  1  0.657642  0.798067  0.367787  1
  Ni  Ni56  1  0.805262  0.095215  0.398304  1
  Ni  Ni57  1  0.953133  0.391604  0.428500  1
  Ni  Ni58  1  0.283260  0.558575  0.428210  1
  Ni  Ni59  1  0.986726  0.965520  0.368002  1
  Ni  Ni60  1  0.135170  0.262390  0.397964  1
  Ni  Ni61  1  0.564640  0.613819  0.381862  1
  Ni  Ni62  1  0.712958  0.910568  0.412617  1
  Ni  Ni63  1  0.861308  0.207475  0.442850  1
  Ni  Ni64  1  0.148218  0.798066  0.367786  1
  Ni  Ni65  1  0.297798  0.095215  0.398304  1
  Ni  Ni66  1  0.446306  0.391603  0.428499  1
  Ni  Ni67  1  0.502491  0.504023  0.473045  1
  Ni  Ni68  1  0.650586  0.800399  0.503427  1
  Ni  Ni69  1  0.798953  0.096971  0.533819  1
  Ni  Ni70  1  0.320682  0.633521  0.503547  1
  Ni  Ni71  1  0.469019  0.930183  0.533894  1
  Ni  Ni72  1  0.172456  0.337068  0.473322  1
  Ni  Ni73  1  0.101368  0.687874  0.458725  1
  Ni  Ni74  1  0.249735  0.984446  0.489117  1
  Ni  Ni75  1  0.397830  0.280822  0.519499  1
  Ni  Ni76  1  0.727866  0.447777  0.519222  1
  Ni  Ni77  1  0.431303  0.854662  0.458650  1
  Ni  Ni78  1  0.579639  0.151324  0.488997  1
  Ni  Ni79  1  0.009483  0.504024  0.473045  1
  Ni  Ni80  1  0.157767  0.800400  0.503427  1
  Ni  Ni81  1  0.305985  0.096971  0.533819  1
  Ni  Ni82  1  0.594336  0.687874  0.458725  1
  Ni  Ni83  1  0.742555  0.984445  0.489117  1
  Ni  Ni84  1  0.890839  0.280821  0.519499  1
  Ni  Ni85  1  0.947188  0.393242  0.564044  1
  Ni  Ni86  1  0.095060  0.689631  0.594240  1
  Ni  Ni87  1  0.242679  0.986778  0.624757  1
  Ni  Ni88  1  0.765152  0.522456  0.594580  1
  Ni  Ni89  1  0.913596  0.819325  0.624542  1
  Ni  Ni90  1  0.617062  0.226270  0.564334  1
  Ni  Ni91  1  0.546205  0.577371  0.549694  1
  Ni  Ni92  1  0.694775  0.874278  0.579927  1
  Ni  Ni93  1  0.843208  0.171027  0.610682  1
  Ni  Ni94  1  0.173179  0.338374  0.610881  1
  Ni  Ni95  1  0.876169  0.744385  0.549522  1
  Ni  Ni96  1  0.024635  0.041294  0.579948  1
  Ni  Ni97  1  0.454016  0.393242  0.564044  1
  Ni  Ni98  1  0.602523  0.689631  0.594240  1
  Ni  Ni99  1  0.752103  0.986780  0.624758  1
  Ni  Ni100  1  0.039014  0.577370  0.549694  1
  Ni  Ni101  1  0.187363  0.874277  0.579927  1
  Ni  Ni102  1  0.335682  0.171027  0.610682  1
  Ni  Ni103  1  0.391886  0.283215  0.655364  1
  Ni  Ni104  1  0.538402  0.575587  0.685057  1
  Ni  Ni105  1  0.687508  0.869544  0.714792  1
  Ni  Ni106  1  0.210124  0.412391  0.683948  1
  Ni  Ni107  1  0.356925  0.705883  0.713652  1
  Ni  Ni108  1  0.062591  0.117309  0.655856  1
  Ni  Ni109  1  0.985891  0.465548  0.641761  1
  Ni  Ni110  1  0.134277  0.760097  0.671628  1
  Ni  Ni111  1  0.279731  0.054507  0.701358  1
  Ni  Ni112  1  0.613714  0.219391  0.698748  1
  Ni  Ni113  1  0.319973  0.631966  0.641111  1
  Ni  Ni114  1  0.467458  0.926835  0.671208  1
  Ni  Ni115  1  0.899337  0.283215  0.655362  1
  Ni  Ni116  1  0.045123  0.575583  0.685057  1
  Ni  Ni117  1  0.190338  0.869540  0.714792  1
  Ni  Ni118  1  0.487531  0.465548  0.641761  1
  Ni  Ni119  1  0.633725  0.760101  0.671626  1
  Ni  Ni120  1  0.782585  0.054513  0.701357  1
