# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84174980
_cell_length_b   22.40144438
_cell_length_c   47.42374860
_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   'Zr56 Ni56'
_cell_volume   4081.32311517
_cell_formula_units_Z   56
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  0.255430  0.330694  0.300953  1
  Zr  Zr2  1  0.255430  0.867193  0.270139  1
  Zr  Zr3  1  0.755430  0.206712  0.312412  1
  Zr  Zr4  1  0.755430  0.743635  0.280293  1
  Zr  Zr5  1  0.255430  0.563403  0.317553  1
  Zr  Zr6  1  0.255430  0.100920  0.285598  1
  Zr  Zr7  1  0.755430  0.438544  0.328418  1
  Zr  Zr8  1  0.755430  0.975673  0.295417  1
  Zr  Zr9  1  0.255430  0.255168  0.367210  1
  Zr  Zr10  1  0.255430  0.792789  0.333800  1
  Zr  Zr11  1  0.755430  0.130243  0.378416  1
  Zr  Zr12  1  0.755430  0.669022  0.344988  1
  Zr  Zr13  1  0.255430  0.485773  0.383936  1
  Zr  Zr14  1  0.255430  0.024440  0.349852  1
  Zr  Zr15  1  0.755430  0.360884  0.394652  1
  Zr  Zr16  1  0.755430  0.899707  0.361304  1
  Zr  Zr17  1  0.255430  0.177862  0.434087  1
  Zr  Zr18  1  0.255430  0.716103  0.400941  1
  Zr  Zr19  1  0.755430  0.053187  0.445105  1
  Zr  Zr20  1  0.755430  0.591313  0.411673  1
  Zr  Zr21  1  0.255430  0.408469  0.450670  1
  Zr  Zr22  1  0.255430  0.947113  0.417368  1
  Zr  Zr23  1  0.755430  0.283924  0.461811  1
  Zr  Zr24  1  0.755430  0.822448  0.428682  1
  Zr  Zr25  1  0.255430  0.100724  0.500931  1
  Zr  Zr26  1  0.255430  0.639027  0.467595  1
  Zr  Zr27  1  0.755430  0.975901  0.511927  1
  Zr  Zr28  1  0.755430  0.514368  0.478619  1
  Zr  Zr29  1  0.255430  0.331504  0.517686  1
  Zr  Zr30  1  0.255430  0.869972  0.484377  1
  Zr  Zr31  1  0.755430  0.206846  0.528709  1
  Zr  Zr32  1  0.755430  0.745149  0.495373  1
  Zr  Zr33  1  0.255430  0.023425  0.567622  1
  Zr  Zr34  1  0.255430  0.561949  0.534493  1
  Zr  Zr35  1  0.755430  0.898760  0.578937  1
  Zr  Zr36  1  0.755430  0.437404  0.545634  1
  Zr  Zr37  1  0.255430  0.254560  0.584631  1
  Zr  Zr38  1  0.255430  0.792686  0.551199  1
  Zr  Zr39  1  0.755430  0.129769  0.595363  1
  Zr  Zr40  1  0.755430  0.668011  0.562217  1
  Zr  Zr41  1  0.255430  0.946165  0.635000  1
  Zr  Zr42  1  0.255430  0.484989  0.601653  1
  Zr  Zr43  1  0.755430  0.821433  0.646452  1
  Zr  Zr44  1  0.755430  0.360099  0.612368  1
  Zr  Zr45  1  0.255430  0.176851  0.651317  1
  Zr  Zr46  1  0.255430  0.715629  0.617888  1
  Zr  Zr47  1  0.755430  0.053084  0.662504  1
  Zr  Zr48  1  0.755430  0.590705  0.629094  1
  Zr  Zr49  1  0.255430  0.870199  0.700887  1
  Zr  Zr50  1  0.255430  0.407329  0.667886  1
  Zr  Zr51  1  0.755430  0.744953  0.710706  1
  Zr  Zr52  1  0.755430  0.282469  0.678751  1
  Zr  Zr53  1  0.255430  0.102238  0.716011  1
  Zr  Zr54  1  0.255430  0.639161  0.683892  1
  Zr  Zr55  1  0.755430  0.978680  0.726166  1
  Zr  Zr56  1  0.755430  0.515179  0.695351  1
  Ni  Ni57  1  0.255430  0.219967  0.274250  1
  Ni  Ni58  1  0.255430  0.683372  0.305926  1
  Ni  Ni59  1  0.755430  0.390074  0.275538  1
  Ni  Ni60  1  0.755430  0.853136  0.306228  1
  Ni  Ni61  1  0.255430  0.453930  0.289432  1
  Ni  Ni62  1  0.255430  0.915392  0.322227  1
  Ni  Ni63  1  0.755430  0.622574  0.290047  1
  Ni  Ni64  1  0.755430  0.084607  0.322806  1
  Ni  Ni65  1  0.255430  0.146775  0.338428  1
  Ni  Ni66  1  0.255430  0.607368  0.372471  1
  Ni  Ni67  1  0.755430  0.316676  0.338559  1
  Ni  Ni68  1  0.755430  0.777626  0.373972  1
  Ni  Ni69  1  0.255430  0.377504  0.354906  1
  Ni  Ni70  1  0.255430  0.838617  0.389371  1
  Ni  Ni71  1  0.755430  0.547319  0.355635  1
  Ni  Ni72  1  0.755430  0.007998  0.389821  1
  Ni  Ni73  1  0.255430  0.068908  0.405806  1
  Ni  Ni74  1  0.255430  0.530472  0.439267  1
  Ni  Ni75  1  0.755430  0.238831  0.406716  1
  Ni  Ni76  1  0.755430  0.700162  0.440117  1
  Ni  Ni77  1  0.255430  0.299990  0.422509  1
  Ni  Ni78  1  0.255430  0.761253  0.456075  1
  Ni  Ni79  1  0.755430  0.469308  0.423339  1
  Ni  Ni80  1  0.755430  0.931076  0.456679  1
  Ni  Ni81  1  0.255430  0.992094  0.472604  1
  Ni  Ni82  1  0.255430  0.453395  0.506155  1
  Ni  Ni83  1  0.755430  0.161838  0.473418  1
  Ni  Ni84  1  0.755430  0.622970  0.506953  1
  Ni  Ni85  1  0.255430  0.222903  0.489351  1
  Ni  Ni86  1  0.255430  0.684034  0.522886  1
  Ni  Ni87  1  0.755430  0.392478  0.490149  1
  Ni  Ni88  1  0.755430  0.853779  0.523700  1
  Ni  Ni89  1  0.255430  0.914797  0.539626  1
  Ni  Ni90  1  0.255430  0.376565  0.572965  1
  Ni  Ni91  1  0.755430  0.084619  0.540229  1
  Ni  Ni92  1  0.755430  0.545883  0.573795  1
  Ni  Ni93  1  0.255430  0.145710  0.556187  1
  Ni  Ni94  1  0.255430  0.607042  0.589588  1
  Ni  Ni95  1  0.755430  0.315401  0.557037  1
  Ni  Ni96  1  0.755430  0.776965  0.590498  1
  Ni  Ni97  1  0.255430  0.837875  0.606483  1
  Ni  Ni98  1  0.255430  0.298554  0.640669  1
  Ni  Ni99  1  0.755430  0.007256  0.606933  1
  Ni  Ni100  1  0.755430  0.468369  0.641398  1
  Ni  Ni101  1  0.255430  0.068247  0.622332  1
  Ni  Ni102  1  0.255430  0.529196  0.657745  1
  Ni  Ni103  1  0.755430  0.238505  0.623833  1
  Ni  Ni104  1  0.755430  0.699097  0.657876  1
  Ni  Ni105  1  0.255430  0.761265  0.673498  1
  Ni  Ni106  1  0.255430  0.223299  0.706257  1
  Ni  Ni107  1  0.755430  0.930481  0.674077  1
  Ni  Ni108  1  0.755430  0.391942  0.706872  1
  Ni  Ni109  1  0.255430  0.992736  0.690076  1
  Ni  Ni110  1  0.255430  0.455799  0.720766  1
  Ni  Ni111  1  0.755430  0.162501  0.690378  1
  Ni  Ni112  1  0.755430  0.625906  0.722054  1
