# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44741773
_cell_length_b   17.25340938
_cell_length_c   54.12676416
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr96 Ni48'
_cell_volume   6021.05786609
_cell_formula_units_Z   48
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  0.837742  0.604514  0.313189  1
  Zr  Zr2  1  0.833283  0.891305  0.350509  1
  Zr  Zr3  1  0.833251  0.178078  0.387736  1
  Zr  Zr4  1  0.169443  0.748089  0.332037  1
  Zr  Zr5  1  0.171707  0.035193  0.369095  1
  Zr  Zr6  1  0.178148  0.460164  0.295295  1
  Zr  Zr7  1  0.347691  0.626611  0.295310  1
  Zr  Zr8  1  0.335358  0.914728  0.332855  1
  Zr  Zr9  1  0.332511  0.201065  0.369094  1
  Zr  Zr10  1  0.662354  0.772811  0.313151  1
  Zr  Zr11  1  0.671326  0.058058  0.350637  1
  Zr  Zr12  1  0.664014  0.472838  0.280632  1
  Zr  Zr13  1  0.333251  0.678078  0.387736  1
  Zr  Zr14  1  0.337742  0.104514  0.313189  1
  Zr  Zr15  1  0.333283  0.391305  0.350509  1
  Zr  Zr16  1  0.671707  0.535193  0.369095  1
  Zr  Zr17  1  0.678148  0.960164  0.295295  1
  Zr  Zr18  1  0.669443  0.248089  0.332037  1
  Zr  Zr19  1  0.832511  0.701065  0.369094  1
  Zr  Zr20  1  0.847691  0.126611  0.295310  1
  Zr  Zr21  1  0.835358  0.414728  0.332855  1
  Zr  Zr22  1  0.171326  0.558058  0.350637  1
  Zr  Zr23  1  0.164014  0.972838  0.280632  1
  Zr  Zr24  1  0.162354  0.272811  0.313151  1
  Zr  Zr25  1  0.833076  0.464699  0.424856  1
  Zr  Zr26  1  0.833246  0.751201  0.462003  1
  Zr  Zr27  1  0.833165  0.037796  0.499131  1
  Zr  Zr28  1  0.171284  0.607955  0.443416  1
  Zr  Zr29  1  0.171190  0.894509  0.480568  1
  Zr  Zr30  1  0.171114  0.321232  0.406281  1
  Zr  Zr31  1  0.333374  0.487788  0.406489  1
  Zr  Zr32  1  0.333087  0.774235  0.443675  1
  Zr  Zr33  1  0.333210  0.060845  0.480788  1
  Zr  Zr34  1  0.671348  0.631043  0.425050  1
  Zr  Zr35  1  0.671204  0.917548  0.462215  1
  Zr  Zr36  1  0.671086  0.344251  0.388042  1
  Zr  Zr37  1  0.333165  0.537796  0.499131  1
  Zr  Zr38  1  0.333076  0.964699  0.424856  1
  Zr  Zr39  1  0.333246  0.251201  0.462003  1
  Zr  Zr40  1  0.671190  0.394509  0.480568  1
  Zr  Zr41  1  0.671114  0.821232  0.406281  1
  Zr  Zr42  1  0.671284  0.107955  0.443416  1
  Zr  Zr43  1  0.833210  0.560845  0.480788  1
  Zr  Zr44  1  0.833374  0.987788  0.406489  1
  Zr  Zr45  1  0.833087  0.274235  0.443675  1
  Zr  Zr46  1  0.171204  0.417548  0.462215  1
  Zr  Zr47  1  0.171086  0.844251  0.388042  1
  Zr  Zr48  1  0.171348  0.131043  0.425050  1
  Zr  Zr49  1  0.833207  0.324354  0.536294  1
  Zr  Zr50  1  0.833062  0.610859  0.573460  1
  Zr  Zr51  1  0.833325  0.897652  0.610467  1
  Zr  Zr52  1  0.171323  0.467668  0.554834  1
  Zr  Zr53  1  0.171037  0.754115  0.592020  1
  Zr  Zr54  1  0.171200  0.181058  0.517721  1
  Zr  Zr55  1  0.333221  0.347394  0.517941  1
  Zr  Zr56  1  0.333126  0.633948  0.555093  1
  Zr  Zr57  1  0.333297  0.920671  0.592228  1
  Zr  Zr58  1  0.671164  0.490701  0.536506  1
  Zr  Zr59  1  0.671334  0.777204  0.573653  1
  Zr  Zr60  1  0.671245  0.204107  0.499378  1
  Zr  Zr61  1  0.333325  0.397652  0.610467  1
  Zr  Zr62  1  0.333207  0.824354  0.536294  1
  Zr  Zr63  1  0.333062  0.110859  0.573460  1
  Zr  Zr64  1  0.671037  0.254115  0.592020  1
  Zr  Zr65  1  0.671200  0.681058  0.517721  1
  Zr  Zr66  1  0.671323  0.967668  0.554834  1
  Zr  Zr67  1  0.833297  0.420671  0.592228  1
  Zr  Zr68  1  0.833221  0.847394  0.517941  1
  Zr  Zr69  1  0.833126  0.133948  0.555093  1
  Zr  Zr70  1  0.171334  0.277204  0.573653  1
  Zr  Zr71  1  0.171245  0.704107  0.499378  1
  Zr  Zr72  1  0.171164  0.990701  0.536506  1
  Zr  Zr73  1  0.833084  0.183845  0.647872  1
  Zr  Zr74  1  0.842056  0.469091  0.685358  1
  Zr  Zr75  1  0.840397  0.769065  0.717877  1
  Zr  Zr76  1  0.169052  0.327175  0.665654  1
  Zr  Zr77  1  0.156719  0.615291  0.703199  1
  Zr  Zr78  1  0.171900  0.040838  0.629415  1
  Zr  Zr79  1  0.332703  0.206710  0.629414  1
  Zr  Zr80  1  0.334968  0.493814  0.666472  1
  Zr  Zr81  1  0.326263  0.781738  0.703215  1
  Zr  Zr82  1  0.671128  0.350597  0.648000  1
  Zr  Zr83  1  0.666669  0.637389  0.685320  1
  Zr  Zr84  1  0.671160  0.063825  0.610773  1
  Zr  Zr85  1  0.340397  0.269065  0.717877  1
  Zr  Zr86  1  0.333084  0.683845  0.647872  1
  Zr  Zr87  1  0.342056  0.969091  0.685358  1
  Zr  Zr88  1  0.656719  0.115291  0.703199  1
  Zr  Zr89  1  0.671900  0.540838  0.629415  1
  Zr  Zr90  1  0.669052  0.827175  0.665654  1
  Zr  Zr91  1  0.826263  0.281738  0.703215  1
  Zr  Zr92  1  0.832703  0.706710  0.629414  1
  Zr  Zr93  1  0.834968  0.993814  0.666472  1
  Zr  Zr94  1  0.166669  0.137389  0.685320  1
  Zr  Zr95  1  0.171160  0.563825  0.610773  1
  Zr  Zr96  1  0.171128  0.850597  0.648000  1
  Ni  Ni97  1  0.998793  0.864631  0.305772  1
  Ni  Ni98  1  0.003429  0.153997  0.341068  1
  Ni  Ni99  1  0.002578  0.439694  0.378779  1
  Ni  Ni100  1  0.004674  0.725133  0.287744  1
  Ni  Ni101  1  0.003117  0.009794  0.323154  1
  Ni  Ni102  1  1.002189  0.296096  0.359998  1
  Ni  Ni103  1  0.503429  0.653997  0.341068  1
  Ni  Ni104  1  0.502578  0.939694  0.378779  1
  Ni  Ni105  1  0.498793  0.364631  0.305772  1
  Ni  Ni106  1  0.502189  0.796096  0.359998  1
  Ni  Ni107  1  0.504674  0.225133  0.287744  1
  Ni  Ni108  1  0.503117  0.509794  0.323154  1
  Ni  Ni109  1  1.001876  0.726127  0.415621  1
  Ni  Ni110  1  1.002196  0.012772  0.452814  1
  Ni  Ni111  1  0.002207  0.299310  0.489977  1
  Ni  Ni112  1  0.002219  0.583067  0.397031  1
  Ni  Ni113  1  1.001992  0.869457  0.434266  1
  Ni  Ni114  1  0.002324  0.156025  0.471397  1
  Ni  Ni115  1  0.502196  0.512772  0.452814  1
  Ni  Ni116  1  0.502207  0.799310  0.489977  1
  Ni  Ni117  1  0.501876  0.226127  0.415621  1
  Ni  Ni118  1  0.502324  0.656025  0.471397  1
  Ni  Ni119  1  0.502219  0.083067  0.397031  1
  Ni  Ni120  1  0.501992  0.369457  0.434266  1
  Ni  Ni121  1  1.002087  0.585877  0.527112  1
  Ni  Ni122  1  0.002419  0.872446  0.564244  1
  Ni  Ni123  1  1.002192  0.158835  0.601478  1
  Ni  Ni124  1  1.002203  0.442593  0.508532  1
  Ni  Ni125  1  0.002214  0.729130  0.545695  1
  Ni  Ni126  1  0.002534  0.015776  0.582888  1
  Ni  Ni127  1  0.502419  0.372446  0.564244  1
  Ni  Ni128  1  0.502192  0.658835  0.601478  1
  Ni  Ni129  1  0.502087  0.085877  0.527112  1
  Ni  Ni130  1  0.502534  0.515776  0.582888  1
  Ni  Ni131  1  0.502203  0.942593  0.508532  1
  Ni  Ni132  1  0.502214  0.229130  0.545695  1
  Ni  Ni133  1  0.002221  0.445807  0.638511  1
  Ni  Ni134  1  1.001294  0.732109  0.675355  1
  Ni  Ni135  1  0.999736  0.016770  0.710765  1
  Ni  Ni136  1  1.001832  0.302209  0.619730  1
  Ni  Ni137  1  1.000982  0.587906  0.657441  1
  Ni  Ni138  1  0.005618  0.877272  0.692737  1
  Ni  Ni139  1  0.501294  0.232109  0.675355  1
  Ni  Ni140  1  0.499736  0.516770  0.710765  1
  Ni  Ni141  1  0.502221  0.945807  0.638511  1
  Ni  Ni142  1  0.505618  0.377272  0.692737  1
  Ni  Ni143  1  0.501832  0.802209  0.619730  1
  Ni  Ni144  1  0.500982  0.087906  0.657441  1
