# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83544483
_cell_length_b   29.72057183
_cell_length_c   50.12554453
_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   5713.89170745
_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  0.256261  0.381841  0.350775  1
  Zr  Zr2  1  0.256261  0.051926  0.327859  1
  Zr  Zr3  1  0.256261  0.723772  0.305608  1
  Zr  Zr4  1  0.756261  0.314695  0.311931  1
  Zr  Zr5  1  0.756261  0.984821  0.290240  1
  Zr  Zr6  1  0.756261  0.643513  0.334051  1
  Zr  Zr7  1  0.256261  0.551926  0.327859  1
  Zr  Zr8  1  0.256261  0.223772  0.305608  1
  Zr  Zr9  1  0.256261  0.881841  0.350775  1
  Zr  Zr10  1  0.756261  0.484821  0.290240  1
  Zr  Zr11  1  0.756261  0.143513  0.334051  1
  Zr  Zr12  1  0.756261  0.814695  0.311931  1
  Zr  Zr13  1  0.256261  0.366695  0.422915  1
  Zr  Zr14  1  0.256261  0.038449  0.399229  1
  Zr  Zr15  1  0.256261  0.710110  0.374926  1
  Zr  Zr16  1  0.756261  0.300699  0.381417  1
  Zr  Zr17  1  0.756261  0.971914  0.358229  1
  Zr  Zr18  1  0.756261  0.629155  0.405677  1
  Zr  Zr19  1  0.256261  0.538449  0.399229  1
  Zr  Zr20  1  0.256261  0.210110  0.374926  1
  Zr  Zr21  1  0.256261  0.866695  0.422915  1
  Zr  Zr22  1  0.756261  0.471914  0.358229  1
  Zr  Zr23  1  0.756261  0.129155  0.405677  1
  Zr  Zr24  1  0.756261  0.800699  0.381417  1
  Zr  Zr25  1  0.256261  0.352179  0.494583  1
  Zr  Zr26  1  0.256261  0.023728  0.470809  1
  Zr  Zr27  1  0.256261  0.695250  0.446852  1
  Zr  Zr28  1  0.756261  0.285959  0.453437  1
  Zr  Zr29  1  0.756261  0.957452  0.429720  1
  Zr  Zr30  1  0.756261  0.614397  0.477354  1
  Zr  Zr31  1  0.256261  0.523728  0.470809  1
  Zr  Zr32  1  0.256261  0.195250  0.446852  1
  Zr  Zr33  1  0.256261  0.852179  0.494583  1
  Zr  Zr34  1  0.756261  0.457452  0.429720  1
  Zr  Zr35  1  0.756261  0.114397  0.477354  1
  Zr  Zr36  1  0.756261  0.785959  0.453437  1
  Zr  Zr37  1  0.256261  0.337553  0.566154  1
  Zr  Zr38  1  0.256261  0.009046  0.542436  1
  Zr  Zr39  1  0.256261  0.680608  0.518520  1
  Zr  Zr40  1  0.756261  0.271277  0.525065  1
  Zr  Zr41  1  0.756261  0.942826  0.501290  1
  Zr  Zr42  1  0.756261  0.599755  0.549021  1
  Zr  Zr43  1  0.256261  0.509046  0.542436  1
  Zr  Zr44  1  0.256261  0.180608  0.518520  1
  Zr  Zr45  1  0.256261  0.837553  0.566154  1
  Zr  Zr46  1  0.756261  0.442826  0.501290  1
  Zr  Zr47  1  0.756261  0.099755  0.549021  1
  Zr  Zr48  1  0.756261  0.771277  0.525065  1
  Zr  Zr49  1  0.256261  0.323091  0.637645  1
  Zr  Zr50  1  0.256261  0.994306  0.614457  1
  Zr  Zr51  1  0.256261  0.665851  0.590197  1
  Zr  Zr52  1  0.756261  0.256556  0.596645  1
  Zr  Zr53  1  0.756261  0.928310  0.572959  1
  Zr  Zr54  1  0.756261  0.584895  0.620947  1
  Zr  Zr55  1  0.256261  0.494306  0.614457  1
  Zr  Zr56  1  0.256261  0.165851  0.590197  1
  Zr  Zr57  1  0.256261  0.823091  0.637645  1
  Zr  Zr58  1  0.756261  0.428310  0.572959  1
  Zr  Zr59  1  0.756261  0.084895  0.620947  1
  Zr  Zr60  1  0.756261  0.756556  0.596645  1
  Zr  Zr61  1  0.256261  0.310185  0.705634  1
  Zr  Zr62  1  0.256261  0.980310  0.683942  1
  Zr  Zr63  1  0.256261  0.651492  0.661822  1
  Zr  Zr64  1  0.756261  0.243079  0.668015  1
  Zr  Zr65  1  0.756261  0.913164  0.645099  1
  Zr  Zr66  1  0.756261  0.571234  0.690265  1
  Zr  Zr67  1  0.256261  0.480310  0.683942  1
  Zr  Zr68  1  0.256261  0.151492  0.661822  1
  Zr  Zr69  1  0.256261  0.810185  0.705634  1
  Zr  Zr70  1  0.756261  0.413164  0.645099  1
  Zr  Zr71  1  0.756261  0.071234  0.690265  1
  Zr  Zr72  1  0.756261  0.743079  0.668015  1
  Ni  Ni73  1  0.256261  0.289111  0.344272  1
  Ni  Ni74  1  0.256261  0.958999  0.321313  1
  Ni  Ni75  1  0.256261  0.631251  0.297314  1
  Ni  Ni76  1  0.756261  0.406906  0.316575  1
  Ni  Ni77  1  0.756261  0.077421  0.293628  1
  Ni  Ni78  1  0.756261  0.736470  0.340699  1
  Ni  Ni79  1  0.256261  0.458999  0.321313  1
  Ni  Ni80  1  0.256261  0.131251  0.297314  1
  Ni  Ni81  1  0.256261  0.789111  0.344272  1
  Ni  Ni82  1  0.756261  0.577421  0.293628  1
  Ni  Ni83  1  0.756261  0.236470  0.340699  1
  Ni  Ni84  1  0.756261  0.906906  0.316575  1
  Ni  Ni85  1  0.256261  0.274039  0.416288  1
  Ni  Ni86  1  0.256261  0.945288  0.392854  1
  Ni  Ni87  1  0.256261  0.617345  0.368158  1
  Ni  Ni88  1  0.756261  0.393141  0.388246  1
  Ni  Ni89  1  0.756261  0.065244  0.364744  1
  Ni  Ni90  1  0.756261  0.721899  0.412524  1
  Ni  Ni91  1  0.256261  0.445288  0.392854  1
  Ni  Ni92  1  0.256261  0.117345  0.368158  1
  Ni  Ni93  1  0.256261  0.774039  0.416288  1
  Ni  Ni94  1  0.756261  0.565244  0.364744  1
  Ni  Ni95  1  0.756261  0.221899  0.412524  1
  Ni  Ni96  1  0.756261  0.893141  0.388246  1
  Ni  Ni97  1  0.256261  0.259374  0.487819  1
  Ni  Ni98  1  0.256261  0.930867  0.464003  1
  Ni  Ni99  1  0.256261  0.602543  0.440152  1
  Ni  Ni100  1  0.756261  0.378679  0.460165  1
  Ni  Ni101  1  0.756261  0.050339  0.436398  1
  Ni  Ni102  1  0.756261  0.707179  0.484047  1
  Ni  Ni103  1  0.256261  0.430867  0.464003  1
  Ni  Ni104  1  0.256261  0.102543  0.440152  1
  Ni  Ni105  1  0.256261  0.759374  0.487819  1
  Ni  Ni106  1  0.756261  0.550339  0.436398  1
  Ni  Ni107  1  0.756261  0.207179  0.484047  1
  Ni  Ni108  1  0.756261  0.878679  0.460165  1
  Ni  Ni109  1  0.256261  0.244666  0.559476  1
  Ni  Ni110  1  0.256261  0.916326  0.535708  1
  Ni  Ni111  1  0.256261  0.587826  0.511827  1
  Ni  Ni112  1  0.756261  0.364138  0.531870  1
  Ni  Ni113  1  0.756261  0.035631  0.508054  1
  Ni  Ni114  1  0.756261  0.692462  0.555721  1
  Ni  Ni115  1  0.256261  0.416326  0.535708  1
  Ni  Ni116  1  0.256261  0.087826  0.511827  1
  Ni  Ni117  1  0.256261  0.744666  0.559476  1
  Ni  Ni118  1  0.756261  0.535631  0.508054  1
  Ni  Ni119  1  0.756261  0.192462  0.555721  1
  Ni  Ni120  1  0.756261  0.864138  0.531870  1
  Ni  Ni121  1  0.256261  0.229761  0.631130  1
  Ni  Ni122  1  0.256261  0.901864  0.607627  1
  Ni  Ni123  1  0.256261  0.573106  0.583349  1
  Ni  Ni124  1  0.756261  0.349718  0.603019  1
  Ni  Ni125  1  0.756261  0.020966  0.579586  1
  Ni  Ni126  1  0.756261  0.677661  0.627716  1
  Ni  Ni127  1  0.256261  0.401864  0.607627  1
  Ni  Ni128  1  0.256261  0.073106  0.583349  1
  Ni  Ni129  1  0.256261  0.729761  0.631130  1
  Ni  Ni130  1  0.756261  0.520966  0.579586  1
  Ni  Ni131  1  0.756261  0.177661  0.627716  1
  Ni  Ni132  1  0.756261  0.849718  0.603019  1
  Ni  Ni133  1  0.256261  0.217584  0.702245  1
  Ni  Ni134  1  0.256261  0.888099  0.679299  1
  Ni  Ni135  1  0.256261  0.558535  0.655174  1
  Ni  Ni136  1  0.756261  0.336007  0.674560  1
  Ni  Ni137  1  0.756261  0.005894  0.651602  1
  Ni  Ni138  1  0.756261  0.663755  0.698560  1
  Ni  Ni139  1  0.256261  0.388099  0.679299  1
  Ni  Ni140  1  0.256261  0.058535  0.655174  1
  Ni  Ni141  1  0.256261  0.717584  0.702245  1
  Ni  Ni142  1  0.756261  0.505894  0.651602  1
  Ni  Ni143  1  0.756261  0.163755  0.698560  1
  Ni  Ni144  1  0.756261  0.836007  0.674560  1
