# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.65815465
_cell_length_b   7.60209621
_cell_length_c   50.04545943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.44711956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr56 Ni56'
_cell_volume   3967.51851229
_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  0.136104  0.588873  0.291030  1
  Zr  Zr2  1  0.081060  0.283949  0.326553  1
  Zr  Zr3  1  0.366381  0.105534  0.290778  1
  Zr  Zr4  1  0.300289  0.806226  0.322178  1
  Zr  Zr5  1  0.664340  0.740479  0.276754  1
  Zr  Zr6  1  0.613090  0.427861  0.308454  1
  Zr  Zr7  1  0.837225  0.946639  0.306114  1
  Zr  Zr8  1  0.888349  0.264770  0.274665  1
  Zr  Zr9  1  0.024651  0.975114  0.357586  1
  Zr  Zr10  1  0.966416  0.673187  0.391361  1
  Zr  Zr11  1  0.253928  0.491339  0.355604  1
  Zr  Zr12  1  0.192335  0.189475  0.390548  1
  Zr  Zr13  1  0.551011  0.131096  0.341556  1
  Zr  Zr14  1  0.497116  0.823278  0.375409  1
  Zr  Zr15  1  0.719425  0.341403  0.373109  1
  Zr  Zr16  1  0.778836  0.646086  0.339894  1
  Zr  Zr17  1  0.910134  0.368692  0.425535  1
  Zr  Zr18  1  0.853166  0.064967  0.458100  1
  Zr  Zr19  1  0.135495  0.885081  0.422880  1
  Zr  Zr20  1  0.079929  0.580928  0.456638  1
  Zr  Zr21  1  0.437883  0.520749  0.407772  1
  Zr  Zr22  1  0.380891  0.217580  0.441768  1
  Zr  Zr23  1  0.607281  0.733385  0.440290  1
  Zr  Zr24  1  0.665930  0.035755  0.406521  1
  Zr  Zr25  1  0.795722  0.761589  0.491851  1
  Zr  Zr26  1  0.740028  0.457255  0.525415  1
  Zr  Zr27  1  0.022195  0.277406  0.490447  1
  Zr  Zr28  1  0.964937  0.974000  0.523279  1
  Zr  Zr29  1  0.325121  0.912720  0.475368  1
  Zr  Zr30  1  0.267863  0.609313  0.508200  1
  Zr  Zr31  1  0.494336  0.125131  0.506795  1
  Zr  Zr32  1  0.550030  0.429465  0.473231  1
  Zr  Zr33  1  0.682777  0.153335  0.558357  1
  Zr  Zr34  1  0.624128  0.850964  0.592126  1
  Zr  Zr35  1  0.909166  0.669139  0.556878  1
  Zr  Zr36  1  0.852175  0.365971  0.590874  1
  Zr  Zr37  1  0.210129  0.305792  0.542008  1
  Zr  Zr38  1  0.154563  1.001638  0.575766  1
  Zr  Zr39  1  0.379924  0.518028  0.573111  1
  Zr  Zr40  1  0.436892  0.821753  0.540547  1
  Zr  Zr41  1  0.570633  0.545316  0.625538  1
  Zr  Zr42  1  0.511222  0.240633  0.658752  1
  Zr  Zr43  1  0.792941  0.063442  0.623238  1
  Zr  Zr44  1  0.739047  0.755623  0.657090  1
  Zr  Zr45  1  0.097723  0.697244  0.608098  1
  Zr  Zr46  1  0.036130  0.395380  0.643042  1
  Zr  Zr47  1  0.265407  0.911605  0.641060  1
  Zr  Zr48  1  0.323642  0.213532  0.607285  1
  Zr  Zr49  1  0.452833  0.940081  0.692532  1
  Zr  Zr50  1  0.401709  0.621949  0.723981  1
  Zr  Zr51  1  0.676968  0.458859  0.690192  1
  Zr  Zr52  1  0.625717  0.146241  0.721892  1
  Zr  Zr53  1  0.989769  0.080494  0.676468  1
  Zr  Zr54  1  0.923677  0.781185  0.707868  1
  Zr  Zr55  1  0.153954  0.297847  0.707616  1
  Zr  Zr56  1  0.208998  0.602771  0.672093  1
  Ni  Ni57  1  0.388133  0.423672  0.307903  1
  Ni  Ni58  1  0.436630  0.703258  0.278941  1
  Ni  Ni59  1  0.119207  0.236050  0.276040  1
  Ni  Ni60  1  0.058920  0.976531  0.303054  1
  Ni  Ni61  1  0.915441  0.553438  0.294616  1
  Ni  Ni62  1  0.858943  0.260088  0.326850  1
  Ni  Ni63  1  0.588439  0.111687  0.289509  1
  Ni  Ni64  1  0.527525  0.813172  0.321024  1
  Ni  Ni65  1  0.272553  0.809830  0.376427  1
  Ni  Ni66  1  0.329338  0.102762  0.344600  1
  Ni  Ni67  1  0.003431  0.668867  0.336692  1
  Ni  Ni68  1  0.942208  0.353961  0.372279  1
  Ni  Ni69  1  0.800511  0.962311  0.359646  1
  Ni  Ni70  1  0.744111  0.650922  0.394301  1
  Ni  Ni71  1  0.472048  0.523206  0.352495  1
  Ni  Ni72  1  0.415691  0.205088  0.388307  1
  Ni  Ni73  1  0.158225  0.194839  0.444369  1
  Ni  Ni74  1  0.215205  0.503684  0.410077  1
  Ni  Ni75  1  0.888029  0.059167  0.403928  1
  Ni  Ni76  1  0.830871  0.751403  0.438000  1
  Ni  Ni77  1  0.686288  0.351860  0.426917  1
  Ni  Ni78  1  0.630088  0.046987  0.460397  1
  Ni  Ni79  1  0.358822  0.901698  0.421450  1
  Ni  Ni80  1  0.302394  0.603014  0.454028  1
  Ni  Ni81  1  0.044726  0.591031  0.510576  1
  Ni  Ni82  1  0.101808  0.896367  0.476925  1
  Ni  Ni83  1  0.773303  0.446444  0.471514  1
  Ni  Ni84  1  0.717007  0.146435  0.504317  1
  Ni  Ni85  1  0.573051  0.740284  0.494329  1
  Ni  Ni86  1  0.516755  0.440276  0.527132  1
  Ni  Ni87  1  0.245331  0.295688  0.488070  1
  Ni  Ni88  1  0.188250  0.990352  0.521721  1
  Ni  Ni89  1  0.931236  0.985022  0.577197  1
  Ni  Ni90  1  0.987663  0.283705  0.544618  1
  Ni  Ni91  1  0.659970  0.839732  0.538249  1
  Ni  Ni92  1  0.603770  0.534859  0.571730  1
  Ni  Ni93  1  0.459186  0.135316  0.560646  1
  Ni  Ni94  1  0.402029  0.827553  0.594718  1
  Ni  Ni95  1  0.131833  0.691880  0.554277  1
  Ni  Ni96  1  0.074853  0.383036  0.588570  1
  Ni  Ni97  1  0.818010  0.363514  0.646151  1
  Ni  Ni98  1  0.874367  0.681631  0.610339  1
  Ni  Ni99  1  0.545947  0.235797  0.604345  1
  Ni  Ni100  1  0.489547  0.924408  0.639000  1
  Ni  Ni101  1  0.347849  0.532758  0.626367  1
  Ni  Ni102  1  0.286627  0.217852  0.661955  1
  Ni  Ni103  1  0.017505  0.076890  0.622219  1
  Ni  Ni104  1  0.960720  0.783957  0.654046  1
  Ni  Ni105  1  0.701619  0.775033  0.709138  1
  Ni  Ni106  1  0.762532  0.073548  0.677622  1
  Ni  Ni107  1  0.431115  0.626632  0.671796  1
  Ni  Ni108  1  0.374617  0.333282  0.704030  1
  Ni  Ni109  1  0.231138  0.910188  0.695592  1
  Ni  Ni110  1  0.170851  0.650669  0.722606  1
  Ni  Ni111  1  0.901925  0.463047  0.690743  1
  Ni  Ni112  1  0.853428  0.183461  0.719705  1
