# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.53488998
_cell_length_b   10.52884577
_cell_length_c   48.00304691
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   128.81636000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr72 Ni72'
_cell_volume   5723.83910174
_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  0.995848  0.951216  0.348497  1
  Zr  Zr2  1  0.591538  0.470058  0.304081  1
  Zr  Zr3  1  0.293134  0.209987  0.324555  1
  Zr  Zr4  1  0.118367  0.796231  0.317510  1
  Zr  Zr5  1  0.819596  0.536621  0.340110  1
  Zr  Zr6  1  0.419068  0.060325  0.297259  1
  Zr  Zr7  1  0.091538  0.470058  0.304081  1
  Zr  Zr8  1  0.793134  0.209987  0.324555  1
  Zr  Zr9  1  0.495848  0.951216  0.348497  1
  Zr  Zr10  1  0.919068  0.060325  0.297259  1
  Zr  Zr11  1  0.618367  0.796231  0.317510  1
  Zr  Zr12  1  0.319596  0.536621  0.340110  1
  Zr  Zr13  1  0.096358  0.171616  0.419451  1
  Zr  Zr14  1  0.695323  0.687297  0.370764  1
  Zr  Zr15  1  0.395614  0.429774  0.395710  1
  Zr  Zr16  1  0.218175  0.014770  0.387951  1
  Zr  Zr17  1  0.918141  0.755984  0.412041  1
  Zr  Zr18  1  0.517040  0.271818  0.363544  1
  Zr  Zr19  1  0.195323  0.687297  0.370764  1
  Zr  Zr20  1  0.895614  0.429774  0.395710  1
  Zr  Zr21  1  0.596358  0.171616  0.419451  1
  Zr  Zr22  1  0.017040  0.271818  0.363544  1
  Zr  Zr23  1  0.718175  0.014770  0.387951  1
  Zr  Zr24  1  0.418141  0.755984  0.412041  1
  Zr  Zr25  1  0.198334  0.395671  0.491216  1
  Zr  Zr26  1  0.796860  0.913104  0.443818  1
  Zr  Zr27  1  0.497554  0.654064  0.467422  1
  Zr  Zr28  1  0.319843  0.238829  0.459610  1
  Zr  Zr29  1  0.020588  0.980088  0.483546  1
  Zr  Zr30  1  0.619479  0.497773  0.435539  1
  Zr  Zr31  1  0.296860  0.913104  0.443818  1
  Zr  Zr32  1  0.997554  0.654064  0.467422  1
  Zr  Zr33  1  0.698334  0.395671  0.491216  1
  Zr  Zr34  1  0.119479  0.497773  0.435539  1
  Zr  Zr35  1  0.819843  0.238829  0.459610  1
  Zr  Zr36  1  0.520588  0.980088  0.483546  1
  Zr  Zr37  1  0.299816  0.619073  0.563243  1
  Zr  Zr38  1  0.898707  0.136758  0.515236  1
  Zr  Zr39  1  0.599453  0.878017  0.539173  1
  Zr  Zr40  1  0.421742  0.462782  0.531361  1
  Zr  Zr41  1  0.122436  0.203742  0.554964  1
  Zr  Zr42  1  0.720962  0.721175  0.507566  1
  Zr  Zr43  1  0.398707  0.136758  0.515236  1
  Zr  Zr44  1  0.099453  0.878017  0.539173  1
  Zr  Zr45  1  0.799816  0.619073  0.563243  1
  Zr  Zr46  1  0.220962  0.721175  0.507566  1
  Zr  Zr47  1  0.921742  0.462782  0.531361  1
  Zr  Zr48  1  0.622436  0.203742  0.554964  1
  Zr  Zr49  1  0.402256  0.845028  0.635238  1
  Zr  Zr50  1  1.001155  0.360862  0.586741  1
  Zr  Zr51  1  0.701121  0.102076  0.610832  1
  Zr  Zr52  1  0.523682  0.687072  0.603072  1
  Zr  Zr53  1  0.223973  0.429549  0.628018  1
  Zr  Zr54  1  0.822938  0.945230  0.579332  1
  Zr  Zr55  1  0.501155  0.360862  0.586741  1
  Zr  Zr56  1  0.201121  0.102076  0.610832  1
  Zr  Zr57  1  0.902256  0.845028  0.635238  1
  Zr  Zr58  1  0.322938  0.945230  0.579332  1
  Zr  Zr59  1  0.023682  0.687072  0.603072  1
  Zr  Zr60  1  0.723973  0.429549  0.628018  1
  Zr  Zr61  1  0.500228  0.056521  0.701523  1
  Zr  Zr62  1  0.099700  0.580225  0.658673  1
  Zr  Zr63  1  0.800929  0.320615  0.681272  1
  Zr  Zr64  1  0.626162  0.906859  0.674228  1
  Zr  Zr65  1  0.327758  0.646788  0.694702  1
  Zr  Zr66  1  0.923448  0.165630  0.650285  1
  Zr  Zr67  1  0.599700  0.580225  0.658673  1
  Zr  Zr68  1  0.300929  0.320615  0.681272  1
  Zr  Zr69  1  1.000228  0.056521  0.701523  1
  Zr  Zr70  1  0.423448  0.165630  0.650285  1
  Zr  Zr71  1  0.126162  0.906859  0.674228  1
  Zr  Zr72  1  0.827758  0.646788  0.694702  1
  Ni  Ni73  1  0.921601  0.502281  0.296488  1
  Ni  Ni74  1  0.628710  0.254278  0.319270  1
  Ni  Ni75  1  0.319963  0.985857  0.344823  1
  Ni  Ni76  1  0.080203  0.006318  0.296384  1
  Ni  Ni77  1  0.793690  0.759177  0.317961  1
  Ni  Ni78  1  0.486120  0.494355  0.343876  1
  Ni  Ni79  1  0.128710  0.254278  0.319270  1
  Ni  Ni80  1  0.819963  0.985857  0.344823  1
  Ni  Ni81  1  0.421601  0.502281  0.296488  1
  Ni  Ni82  1  0.986120  0.494355  0.343876  1
  Ni  Ni83  1  0.580203  0.006318  0.296384  1
  Ni  Ni84  1  0.293690  0.759177  0.317961  1
  Ni  Ni85  1  0.022959  0.728701  0.368528  1
  Ni  Ni86  1  0.724588  0.470128  0.391924  1
  Ni  Ni87  1  0.424745  0.210878  0.416060  1
  Ni  Ni88  1  0.190152  0.236812  0.367237  1
  Ni  Ni89  1  0.888041  0.973799  0.392069  1
  Ni  Ni90  1  0.591339  0.717181  0.415345  1
  Ni  Ni91  1  0.224588  0.470128  0.391924  1
  Ni  Ni92  1  0.924745  0.210878  0.416060  1
  Ni  Ni93  1  0.522959  0.728701  0.368528  1
  Ni  Ni94  1  0.091339  0.717181  0.415345  1
  Ni  Ni95  1  0.690152  0.236812  0.367237  1
  Ni  Ni96  1  0.388041  0.973799  0.392069  1
  Ni  Ni97  1  0.125155  0.951887  0.439924  1
  Ni  Ni98  1  0.825577  0.693157  0.463934  1
  Ni  Ni99  1  0.526520  0.434706  0.487645  1
  Ni  Ni100  1  0.290789  0.458205  0.439191  1
  Ni  Ni101  1  0.991881  0.199832  0.463163  1
  Ni  Ni102  1  0.691992  0.940705  0.487180  1
  Ni  Ni103  1  0.325577  0.693157  0.463934  1
  Ni  Ni104  1  0.026520  0.434706  0.487645  1
  Ni  Ni105  1  0.625155  0.951887  0.439924  1
  Ni  Ni106  1  0.191992  0.940705  0.487180  1
  Ni  Ni107  1  0.790789  0.458205  0.439191  1
  Ni  Ni108  1  0.491881  0.199832  0.463163  1
  Ni  Ni109  1  0.227304  0.176141  0.511603  1
  Ni  Ni110  1  0.927415  0.917014  0.535620  1
  Ni  Ni111  1  0.628507  0.658641  0.559591  1
  Ni  Ni112  1  0.392776  0.682140  0.511137  1
  Ni  Ni113  1  0.093719  0.423689  0.534849  1
  Ni  Ni114  1  0.794141  0.164959  0.558859  1
  Ni  Ni115  1  0.427415  0.917014  0.535620  1
  Ni  Ni116  1  0.128507  0.658641  0.559591  1
  Ni  Ni117  1  0.727304  0.176141  0.511603  1
  Ni  Ni118  1  0.294141  0.164959  0.558859  1
  Ni  Ni119  1  0.892776  0.682140  0.511137  1
  Ni  Ni120  1  0.593719  0.423689  0.534849  1
  Ni  Ni121  1  0.327957  0.399665  0.583437  1
  Ni  Ni122  1  0.031255  0.143047  0.606714  1
  Ni  Ni123  1  0.729144  0.880034  0.631545  1
  Ni  Ni124  1  0.494551  0.905968  0.582722  1
  Ni  Ni125  1  0.194707  0.646718  0.606859  1
  Ni  Ni126  1  0.896337  0.388145  0.630255  1
  Ni  Ni127  1  0.531255  0.143047  0.606714  1
  Ni  Ni128  1  0.229144  0.880034  0.631545  1
  Ni  Ni129  1  0.827957  0.399665  0.583437  1
  Ni  Ni130  1  0.396337  0.388145  0.630255  1
  Ni  Ni131  1  0.994551  0.905968  0.582722  1
  Ni  Ni132  1  0.694707  0.646718  0.606859  1
  Ni  Ni133  1  0.433176  0.622491  0.654907  1
  Ni  Ni134  1  0.125606  0.357669  0.680821  1
  Ni  Ni135  1  0.839093  0.110528  0.702399  1
  Ni  Ni136  1  0.599333  0.130989  0.653959  1
  Ni  Ni137  1  0.290585  0.862568  0.679512  1
  Ni  Ni138  1  0.997695  0.614565  0.702294  1
  Ni  Ni139  1  0.625606  0.357669  0.680821  1
  Ni  Ni140  1  0.339093  0.110528  0.702399  1
  Ni  Ni141  1  0.933176  0.622491  0.654907  1
  Ni  Ni142  1  0.497695  0.614565  0.702294  1
  Ni  Ni143  1  0.099333  0.130989  0.653959  1
  Ni  Ni144  1  0.790585  0.862568  0.679512  1
