# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.61799909
_cell_length_b   7.60118592
_cell_length_c   48.77668124
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.35545892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr96 Ni96'
_cell_volume   7395.9998436
_cell_formula_units_Z   96
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  0.690485  0.554162  0.292204  1
  Zr  Zr2  1  0.190485  0.554162  0.292204  1
  Zr  Zr3  1  0.687212  0.209958  0.324508  1
  Zr  Zr4  1  0.187212  0.209958  0.324508  1
  Zr  Zr5  1  0.771987  0.484195  0.352281  1
  Zr  Zr6  1  0.271987  0.484195  0.352281  1
  Zr  Zr7  1  0.797670  0.806811  0.316339  1
  Zr  Zr8  1  0.297670  0.806811  0.316339  1
  Zr  Zr9  1  0.440485  0.554162  0.292204  1
  Zr  Zr10  1  0.940485  0.554162  0.292204  1
  Zr  Zr11  1  0.437212  0.209958  0.324508  1
  Zr  Zr12  1  0.937212  0.209958  0.324508  1
  Zr  Zr13  1  0.547670  0.806811  0.316339  1
  Zr  Zr14  1  0.047670  0.806811  0.316339  1
  Zr  Zr15  1  0.521987  0.484195  0.352281  1
  Zr  Zr16  1  0.021987  0.484195  0.352281  1
  Zr  Zr17  1  0.660781  0.889490  0.362360  1
  Zr  Zr18  1  0.160781  0.889490  0.362360  1
  Zr  Zr19  1  0.647280  0.550237  0.398322  1
  Zr  Zr20  1  0.147280  0.550237  0.398322  1
  Zr  Zr21  1  0.746519  0.808805  0.423995  1
  Zr  Zr22  1  0.246519  0.808805  0.423995  1
  Zr  Zr23  1  0.766777  0.142153  0.386356  1
  Zr  Zr24  1  0.266777  0.142153  0.386356  1
  Zr  Zr25  1  0.410781  0.889490  0.362360  1
  Zr  Zr26  1  0.910781  0.889490  0.362360  1
  Zr  Zr27  1  0.397280  0.550237  0.398322  1
  Zr  Zr28  1  0.897280  0.550237  0.398322  1
  Zr  Zr29  1  0.516777  0.142153  0.386356  1
  Zr  Zr30  1  0.016777  0.142153  0.386356  1
  Zr  Zr31  1  0.496519  0.808805  0.423995  1
  Zr  Zr32  1  0.996519  0.808805  0.423995  1
  Zr  Zr33  1  0.632387  0.215655  0.432507  1
  Zr  Zr34  1  0.132387  0.215655  0.432507  1
  Zr  Zr35  1  0.615193  0.886353  0.469243  1
  Zr  Zr36  1  0.115193  0.886353  0.469243  1
  Zr  Zr37  1  0.716194  0.145004  0.494754  1
  Zr  Zr38  1  0.216194  0.145004  0.494754  1
  Zr  Zr39  1  0.731736  0.476715  0.459450  1
  Zr  Zr40  1  0.231736  0.476715  0.459450  1
  Zr  Zr41  1  0.382387  0.215655  0.432507  1
  Zr  Zr42  1  0.882387  0.215655  0.432507  1
  Zr  Zr43  1  0.365193  0.886353  0.469243  1
  Zr  Zr44  1  0.865193  0.886353  0.469243  1
  Zr  Zr45  1  0.481736  0.476715  0.459450  1
  Zr  Zr46  1  0.981736  0.476715  0.459450  1
  Zr  Zr47  1  0.466194  0.145004  0.494754  1
  Zr  Zr48  1  0.966194  0.145004  0.494754  1
  Zr  Zr49  1  0.600434  0.552375  0.505359  1
  Zr  Zr50  1  0.100434  0.552375  0.505359  1
  Zr  Zr51  1  0.584892  0.220664  0.540662  1
  Zr  Zr52  1  0.084892  0.220664  0.540662  1
  Zr  Zr53  1  0.684241  0.481724  0.567606  1
  Zr  Zr54  1  0.184241  0.481724  0.567606  1
  Zr  Zr55  1  0.701435  0.811026  0.530869  1
  Zr  Zr56  1  0.201435  0.811026  0.530869  1
  Zr  Zr57  1  0.350434  0.552375  0.505359  1
  Zr  Zr58  1  0.850434  0.552375  0.505359  1
  Zr  Zr59  1  0.334892  0.220664  0.540662  1
  Zr  Zr60  1  0.834892  0.220664  0.540662  1
  Zr  Zr61  1  0.451435  0.811026  0.530869  1
  Zr  Zr62  1  0.951435  0.811026  0.530869  1
  Zr  Zr63  1  0.434241  0.481724  0.567606  1
  Zr  Zr64  1  0.934241  0.481724  0.567606  1
  Zr  Zr65  1  0.570109  0.888574  0.576118  1
  Zr  Zr66  1  0.070109  0.888574  0.576118  1
  Zr  Zr67  1  0.549850  0.555226  0.613757  1
  Zr  Zr68  1  0.049850  0.555226  0.613757  1
  Zr  Zr69  1  0.655847  0.807889  0.637752  1
  Zr  Zr70  1  0.155847  0.807889  0.637752  1
  Zr  Zr71  1  0.669348  0.147142  0.601791  1
  Zr  Zr72  1  0.169348  0.147142  0.601791  1
  Zr  Zr73  1  0.320109  0.888574  0.576118  1
  Zr  Zr74  1  0.820109  0.888574  0.576118  1
  Zr  Zr75  1  0.299850  0.555226  0.613757  1
  Zr  Zr76  1  0.799850  0.555226  0.613757  1
  Zr  Zr77  1  0.419348  0.147142  0.601791  1
  Zr  Zr78  1  0.919348  0.147142  0.601791  1
  Zr  Zr79  1  0.405847  0.807889  0.637752  1
  Zr  Zr80  1  0.905847  0.807889  0.637752  1
  Zr  Zr81  1  0.544640  0.213183  0.647832  1
  Zr  Zr82  1  0.044640  0.213183  0.647832  1
  Zr  Zr83  1  0.518958  0.890568  0.683774  1
  Zr  Zr84  1  0.018958  0.890568  0.683774  1
  Zr  Zr85  1  0.626143  0.143216  0.707908  1
  Zr  Zr86  1  0.126143  0.143216  0.707908  1
  Zr  Zr87  1  0.629416  0.487420  0.675604  1
  Zr  Zr88  1  0.129416  0.487420  0.675604  1
  Zr  Zr89  1  0.294640  0.213183  0.647832  1
  Zr  Zr90  1  0.794640  0.213183  0.647832  1
  Zr  Zr91  1  0.268958  0.890568  0.683774  1
  Zr  Zr92  1  0.768958  0.890568  0.683774  1
  Zr  Zr93  1  0.379416  0.487420  0.675604  1
  Zr  Zr94  1  0.879416  0.487420  0.675604  1
  Zr  Zr95  1  0.376143  0.143216  0.707908  1
  Zr  Zr96  1  0.876143  0.143216  0.707908  1
  Ni  Ni97  1  0.824205  0.429167  0.303502  1
  Ni  Ni98  1  0.324205  0.429167  0.303502  1
  Ni  Ni99  1  0.820116  0.135505  0.332626  1
  Ni  Ni100  1  0.320116  0.135505  0.332626  1
  Ni  Ni101  1  0.638681  0.558096  0.342457  1
  Ni  Ni102  1  0.138681  0.558096  0.342457  1
  Ni  Ni103  1  0.664665  0.881371  0.309616  1
  Ni  Ni104  1  0.164665  0.881371  0.309616  1
  Ni  Ni105  1  0.574205  0.429167  0.303502  1
  Ni  Ni106  1  0.074205  0.429167  0.303502  1
  Ni  Ni107  1  0.570116  0.135505  0.332626  1
  Ni  Ni108  1  0.070116  0.135505  0.332626  1
  Ni  Ni109  1  0.414665  0.881371  0.309616  1
  Ni  Ni110  1  0.914665  0.881371  0.309616  1
  Ni  Ni111  1  0.388681  0.558096  0.342457  1
  Ni  Ni112  1  0.888681  0.558096  0.342457  1
  Ni  Ni113  1  0.796869  0.788052  0.372169  1
  Ni  Ni114  1  0.296869  0.788052  0.372169  1
  Ni  Ni115  1  0.783893  0.454204  0.407869  1
  Ni  Ni116  1  0.283893  0.454204  0.407869  1
  Ni  Ni117  1  0.610252  0.896096  0.414478  1
  Ni  Ni118  1  0.110252  0.896096  0.414478  1
  Ni  Ni119  1  0.630532  0.257191  0.373887  1
  Ni  Ni120  1  0.130532  0.257191  0.373887  1
  Ni  Ni121  1  0.546869  0.788052  0.372169  1
  Ni  Ni122  1  0.046869  0.788052  0.372169  1
  Ni  Ni123  1  0.533893  0.454204  0.407869  1
  Ni  Ni124  1  0.033893  0.454204  0.407869  1
  Ni  Ni125  1  0.380532  0.257191  0.373887  1
  Ni  Ni126  1  0.880532  0.257191  0.373887  1
  Ni  Ni127  1  0.360252  0.896096  0.414478  1
  Ni  Ni128  1  0.860252  0.896096  0.414478  1
  Ni  Ni129  1  0.767466  0.129460  0.442519  1
  Ni  Ni130  1  0.267466  0.129460  0.442519  1
  Ni  Ni131  1  0.751667  0.789701  0.479603  1
  Ni  Ni132  1  0.251667  0.789701  0.479603  1
  Ni  Ni133  1  0.580476  0.240473  0.484609  1
  Ni  Ni134  1  0.080476  0.240473  0.484609  1
  Ni  Ni135  1  0.595919  0.567991  0.449594  1
  Ni  Ni136  1  0.095919  0.567991  0.449594  1
  Ni  Ni137  1  0.517466  0.129460  0.442519  1
  Ni  Ni138  1  0.017466  0.129460  0.442519  1
  Ni  Ni139  1  0.501667  0.789701  0.479603  1
  Ni  Ni140  1  1.001667  0.789701  0.479603  1
  Ni  Ni141  1  0.345919  0.567991  0.449594  1
  Ni  Ni142  1  0.845919  0.567991  0.449594  1
  Ni  Ni143  1  0.330476  0.240473  0.484609  1
  Ni  Ni144  1  0.830476  0.240473  0.484609  1
  Ni  Ni145  1  0.736152  0.456906  0.515503  1
  Ni  Ni146  1  0.236152  0.456906  0.515503  1
  Ni  Ni147  1  0.720708  0.129388  0.550519  1
  Ni  Ni148  1  0.220708  0.129388  0.550519  1
  Ni  Ni149  1  0.549162  0.567919  0.557594  1
  Ni  Ni150  1  0.049162  0.567919  0.557594  1
  Ni  Ni151  1  0.564960  0.907678  0.520509  1
  Ni  Ni152  1  0.064960  0.907678  0.520509  1
  Ni  Ni153  1  0.486152  0.456906  0.515503  1
  Ni  Ni154  1  0.986152  0.456906  0.515503  1
  Ni  Ni155  1  0.470708  0.129388  0.550519  1
  Ni  Ni156  1  0.970708  0.129388  0.550519  1
  Ni  Ni157  1  0.314960  0.907678  0.520509  1
  Ni  Ni158  1  0.814960  0.907678  0.520509  1
  Ni  Ni159  1  0.299162  0.567919  0.557594  1
  Ni  Ni160  1  0.799162  0.567919  0.557594  1
  Ni  Ni161  1  0.706376  0.801283  0.585634  1
  Ni  Ni162  1  0.206376  0.801283  0.585634  1
  Ni  Ni163  1  0.686096  0.440188  0.626226  1
  Ni  Ni164  1  0.186096  0.440188  0.626226  1
  Ni  Ni165  1  0.519759  0.909327  0.627944  1
  Ni  Ni166  1  0.019759  0.909327  0.627944  1
  Ni  Ni167  1  0.532735  0.243174  0.592243  1
  Ni  Ni168  1  0.032735  0.243174  0.592243  1
  Ni  Ni169  1  0.456376  0.801283  0.585634  1
  Ni  Ni170  1  0.956376  0.801283  0.585634  1
  Ni  Ni171  1  0.436096  0.440188  0.626226  1
  Ni  Ni172  1  0.936096  0.440188  0.626226  1
  Ni  Ni173  1  0.282735  0.243174  0.592243  1
  Ni  Ni174  1  0.782735  0.243174  0.592243  1
  Ni  Ni175  1  0.269759  0.909327  0.627944  1
  Ni  Ni176  1  0.769759  0.909327  0.627944  1
  Ni  Ni177  1  0.677946  0.139283  0.657655  1
  Ni  Ni178  1  0.177946  0.139283  0.657655  1
  Ni  Ni179  1  0.651963  0.816008  0.690496  1
  Ni  Ni180  1  0.151963  0.816008  0.690496  1
  Ni  Ni181  1  0.492423  0.268212  0.696610  1
  Ni  Ni182  1  0.992423  0.268212  0.696610  1
  Ni  Ni183  1  0.496512  0.561874  0.667486  1
  Ni  Ni184  1  0.996512  0.561874  0.667486  1
  Ni  Ni185  1  0.427946  0.139283  0.657655  1
  Ni  Ni186  1  0.927946  0.139283  0.657655  1
  Ni  Ni187  1  0.401963  0.816008  0.690496  1
  Ni  Ni188  1  0.901963  0.816008  0.690496  1
  Ni  Ni189  1  0.246512  0.561874  0.667486  1
  Ni  Ni190  1  0.746512  0.561874  0.667486  1
  Ni  Ni191  1  0.242423  0.268212  0.696610  1
  Ni  Ni192  1  0.742423  0.268212  0.696610  1
