# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79951453
_cell_length_b   11.40811561
_cell_length_c   47.61981534
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr72 Ni72'
_cell_volume   5323.60938197
_cell_formula_units_Z   72
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  0.636010  0.932824  0.290113  1
  Zr  Zr2  1  0.639496  0.636301  0.313268  1
  Zr  Zr3  1  0.638946  0.341581  0.338049  1
  Zr  Zr4  1  0.863685  0.136301  0.313268  1
  Zr  Zr5  1  0.864235  0.841581  0.338049  1
  Zr  Zr6  1  0.867171  0.432824  0.290113  1
  Zr  Zr7  1  0.139353  0.079318  0.278985  1
  Zr  Zr8  1  0.136697  0.783492  0.300171  1
  Zr  Zr9  1  0.139898  0.488306  0.326045  1
  Zr  Zr10  1  0.363283  0.988306  0.326045  1
  Zr  Zr11  1  0.363828  0.579318  0.278985  1
  Zr  Zr12  1  0.366484  0.283492  0.300171  1
  Zr  Zr13  1  0.638278  0.046245  0.362993  1
  Zr  Zr14  1  0.639375  0.751176  0.389248  1
  Zr  Zr15  1  0.639986  0.456563  0.415152  1
  Zr  Zr16  1  0.863806  0.251176  0.389248  1
  Zr  Zr17  1  0.863195  0.956563  0.415152  1
  Zr  Zr18  1  0.864904  0.546245  0.362993  1
  Zr  Zr19  1  0.138276  0.193551  0.349659  1
  Zr  Zr20  1  0.139167  0.897934  0.376804  1
  Zr  Zr21  1  0.139876  0.604053  0.402001  1
  Zr  Zr22  1  0.363305  0.104053  0.402001  1
  Zr  Zr23  1  0.364905  0.693551  0.349659  1
  Zr  Zr24  1  0.364014  0.397934  0.376804  1
  Zr  Zr25  1  0.639280  0.162173  0.440827  1
  Zr  Zr26  1  0.639260  0.867457  0.466557  1
  Zr  Zr27  1  0.639386  0.572890  0.492274  1
  Zr  Zr28  1  0.863921  0.367457  0.466557  1
  Zr  Zr29  1  0.863795  0.072890  0.492274  1
  Zr  Zr30  1  0.863901  0.662173  0.440827  1
  Zr  Zr31  1  0.139373  0.309244  0.428211  1
  Zr  Zr32  1  0.139210  0.014755  0.453621  1
  Zr  Zr33  1  0.139295  0.720092  0.479446  1
  Zr  Zr34  1  0.363886  0.220092  0.479446  1
  Zr  Zr35  1  0.363808  0.809244  0.428211  1
  Zr  Zr36  1  0.363971  0.514755  0.453621  1
  Zr  Zr37  1  0.639295  0.278284  0.517933  1
  Zr  Zr38  1  0.639210  0.983620  0.543758  1
  Zr  Zr39  1  0.639373  0.689132  0.569168  1
  Zr  Zr40  1  0.863971  0.483620  0.543758  1
  Zr  Zr41  1  0.863808  0.189132  0.569168  1
  Zr  Zr42  1  0.863886  0.778284  0.517933  1
  Zr  Zr43  1  0.139386  0.425485  0.505106  1
  Zr  Zr44  1  0.139260  0.130919  0.530822  1
  Zr  Zr45  1  0.139280  0.836202  0.556553  1
  Zr  Zr46  1  0.363901  0.336202  0.556553  1
  Zr  Zr47  1  0.363795  0.925485  0.505106  1
  Zr  Zr48  1  0.363921  0.630919  0.530822  1
  Zr  Zr49  1  0.639876  0.394322  0.595379  1
  Zr  Zr50  1  0.639167  0.100441  0.620576  1
  Zr  Zr51  1  0.638276  0.804825  0.647721  1
  Zr  Zr52  1  0.864014  0.600441  0.620576  1
  Zr  Zr53  1  0.864905  0.304825  0.647721  1
  Zr  Zr54  1  0.863305  0.894322  0.595379  1
  Zr  Zr55  1  0.139986  0.541813  0.582228  1
  Zr  Zr56  1  0.139375  0.247200  0.608131  1
  Zr  Zr57  1  0.138278  0.952131  0.634387  1
  Zr  Zr58  1  0.364904  0.452131  0.634387  1
  Zr  Zr59  1  0.363195  0.041813  0.582228  1
  Zr  Zr60  1  0.363806  0.747200  0.608131  1
  Zr  Zr61  1  0.639898  0.510070  0.671335  1
  Zr  Zr62  1  0.636697  0.214884  0.697209  1
  Zr  Zr63  1  0.639353  0.919057  0.718394  1
  Zr  Zr64  1  0.866484  0.714884  0.697209  1
  Zr  Zr65  1  0.863828  0.419057  0.718394  1
  Zr  Zr66  1  0.863283  0.010070  0.671335  1
  Zr  Zr67  1  0.138946  0.656794  0.659331  1
  Zr  Zr68  1  0.139496  0.362075  0.684112  1
  Zr  Zr69  1  0.136010  0.065552  0.707266  1
  Zr  Zr70  1  0.367171  0.565552  0.707266  1
  Zr  Zr71  1  0.364235  0.156794  0.659331  1
  Zr  Zr72  1  0.363685  0.862075  0.684112  1
  Ni  Ni73  1  0.920552  0.930108  0.286055  1
  Ni  Ni74  1  0.923080  0.638702  0.311177  1
  Ni  Ni75  1  0.923170  0.339436  0.338155  1
  Ni  Ni76  1  0.580101  0.138702  0.311177  1
  Ni  Ni77  1  0.580011  0.839436  0.338155  1
  Ni  Ni78  1  0.582629  0.430108  0.286055  1
  Ni  Ni79  1  0.418047  0.071853  0.274250  1
  Ni  Ni80  1  0.423526  0.788612  0.297733  1
  Ni  Ni81  1  0.425970  0.485060  0.325623  1
  Ni  Ni82  1  0.077211  0.985060  0.325623  1
  Ni  Ni83  1  0.085134  0.571853  0.274250  1
  Ni  Ni84  1  0.079655  0.288612  0.297733  1
  Ni  Ni85  1  0.920910  0.045976  0.364048  1
  Ni  Ni86  1  0.922473  0.750859  0.389400  1
  Ni  Ni87  1  0.922230  0.457123  0.415035  1
  Ni  Ni88  1  0.580708  0.250859  0.389400  1
  Ni  Ni89  1  0.580951  0.957123  0.415035  1
  Ni  Ni90  1  0.582271  0.545976  0.364048  1
  Ni  Ni91  1  0.422652  0.194004  0.350579  1
  Ni  Ni92  1  0.421724  0.896938  0.377132  1
  Ni  Ni93  1  0.422330  0.604776  0.402048  1
  Ni  Ni94  1  0.080851  0.104776  0.402048  1
  Ni  Ni95  1  0.080529  0.694004  0.350579  1
  Ni  Ni96  1  0.081457  0.396938  0.377132  1
  Ni  Ni97  1  0.922341  0.161991  0.440722  1
  Ni  Ni98  1  0.922220  0.867523  0.466563  1
  Ni  Ni99  1  0.922427  0.572747  0.492246  1
  Ni  Ni100  1  0.580961  0.367523  0.466563  1
  Ni  Ni101  1  0.580754  0.072747  0.492246  1
  Ni  Ni102  1  0.580840  0.661991  0.440722  1
  Ni  Ni103  1  0.422509  0.308993  0.428029  1
  Ni  Ni104  1  0.422303  0.015013  0.453575  1
  Ni  Ni105  1  0.422406  0.719886  0.479430  1
  Ni  Ni106  1  0.080775  0.219886  0.479430  1
  Ni  Ni107  1  0.080672  0.808993  0.428029  1
  Ni  Ni108  1  0.080878  0.515013  0.453575  1
  Ni  Ni109  1  0.922406  0.278489  0.517950  1
  Ni  Ni110  1  0.922303  0.983363  0.543805  1
  Ni  Ni111  1  0.922509  0.689383  0.569351  1
  Ni  Ni112  1  0.580878  0.483363  0.543805  1
  Ni  Ni113  1  0.580672  0.189383  0.569351  1
  Ni  Ni114  1  0.580775  0.778489  0.517950  1
  Ni  Ni115  1  0.422427  0.425628  0.505133  1
  Ni  Ni116  1  0.422220  0.130853  0.530817  1
  Ni  Ni117  1  0.422341  0.836385  0.556657  1
  Ni  Ni118  1  0.080840  0.336385  0.556657  1
  Ni  Ni119  1  0.080754  0.925628  0.505133  1
  Ni  Ni120  1  0.080961  0.630853  0.530817  1
  Ni  Ni121  1  0.922330  0.393600  0.595332  1
  Ni  Ni122  1  0.921724  0.101438  0.620248  1
  Ni  Ni123  1  0.922652  0.804372  0.646800  1
  Ni  Ni124  1  0.581457  0.601438  0.620248  1
  Ni  Ni125  1  0.580529  0.304372  0.646800  1
  Ni  Ni126  1  0.580851  0.893600  0.595332  1
  Ni  Ni127  1  0.422230  0.541252  0.582345  1
  Ni  Ni128  1  0.422473  0.247516  0.607980  1
  Ni  Ni129  1  0.420910  0.952399  0.633332  1
  Ni  Ni130  1  0.082271  0.452399  0.633332  1
  Ni  Ni131  1  0.080951  0.041252  0.582345  1
  Ni  Ni132  1  0.080708  0.747516  0.607980  1
  Ni  Ni133  1  0.925970  0.513316  0.671757  1
  Ni  Ni134  1  0.923526  0.209764  0.699646  1
  Ni  Ni135  1  0.918047  0.926523  0.723129  1
  Ni  Ni136  1  0.579655  0.709764  0.699646  1
  Ni  Ni137  1  0.585134  0.426523  0.723129  1
  Ni  Ni138  1  0.577211  0.013316  0.671757  1
  Ni  Ni139  1  0.423170  0.658939  0.659224  1
  Ni  Ni140  1  0.423080  0.359673  0.686202  1
  Ni  Ni141  1  0.420552  0.068268  0.711325  1
  Ni  Ni142  1  0.082629  0.568268  0.711325  1
  Ni  Ni143  1  0.080011  0.158939  0.659224  1
  Ni  Ni144  1  0.080101  0.859673  0.686202  1
