# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25065636
_cell_length_b   14.58662879
_cell_length_c   49.43251804
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.40271299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr30 Ni90'
_cell_volume   3723.77480565
_cell_formula_units_Z   30
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  0.420089  0.834303  0.359112  1
  Zr  Zr2  1  0.725858  0.445816  0.303991  1
  Zr  Zr3  1  0.071406  0.136851  0.330015  1
  Zr  Zr4  1  0.947111  0.888540  0.307499  1
  Zr  Zr5  1  0.295435  0.585200  0.332795  1
  Zr  Zr6  1  0.644626  0.283567  0.363389  1
  Zr  Zr7  1  0.465119  0.924366  0.441688  1
  Zr  Zr8  1  0.768427  0.530984  0.386116  1
  Zr  Zr9  1  0.116794  0.227709  0.413621  1
  Zr  Zr10  1  0.993094  0.980502  0.390595  1
  Zr  Zr11  1  0.341084  0.676497  0.418307  1
  Zr  Zr12  1  0.689504  0.373340  0.446302  1
  Zr  Zr13  1  0.509572  0.013283  0.525231  1
  Zr  Zr14  1  0.813078  0.620293  0.469442  1
  Zr  Zr15  1  0.161398  0.316931  0.497333  1
  Zr  Zr16  1  0.037588  0.069510  0.474095  1
  Zr  Zr17  1  0.385763  0.765862  0.501992  1
  Zr  Zr18  1  0.734083  0.462500  0.529884  1
  Zr  Zr19  1  0.554066  0.102291  0.608731  1
  Zr  Zr20  1  0.857657  0.709453  0.553023  1
  Zr  Zr21  1  0.206077  0.406296  0.581018  1
  Zr  Zr22  1  0.082042  0.158427  0.557637  1
  Zr  Zr23  1  0.430367  0.855084  0.585704  1
  Zr  Zr24  1  0.778734  0.551809  0.613209  1
  Zr  Zr25  1  0.600049  0.194253  0.691827  1
  Zr  Zr26  1  0.902534  0.799225  0.635936  1
  Zr  Zr27  1  0.251726  0.497593  0.666530  1
  Zr  Zr28  1  0.127072  0.248490  0.640214  1
  Zr  Zr29  1  0.475755  0.945941  0.669310  1
  Zr  Zr30  1  0.821303  0.636976  0.695334  1
  Ni  Ni31  1  0.744264  0.985851  0.343623  1
  Ni  Ni32  1  0.092358  0.682479  0.371515  1
  Ni  Ni33  1  0.401212  0.287997  0.317237  1
  Ni  Ni34  1  0.447346  0.889019  0.308271  1
  Ni  Ni35  1  0.796978  0.588383  0.336000  1
  Ni  Ni36  1  0.145612  0.285601  0.362166  1
  Ni  Ni37  1  0.624882  0.739884  0.322393  1
  Ni  Ni38  1  0.972443  0.434350  0.348807  1
  Ni  Ni39  1  0.275092  0.038058  0.295321  1
  Ni  Ni40  1  0.919298  0.832661  0.358211  1
  Ni  Ni41  1  0.217672  0.429382  0.304352  1
  Ni  Ni42  1  0.570429  0.134867  0.330159  1
  Ni  Ni43  1  0.247543  0.985849  0.343623  1
  Ni  Ni44  1  0.596055  0.682482  0.371514  1
  Ni  Ni45  1  0.892696  0.287990  0.317235  1
  Ni  Ni46  1  0.120599  0.739878  0.322392  1
  Ni  Ni47  1  0.467521  0.434347  0.348809  1
  Ni  Ni48  1  0.768855  0.038062  0.295321  1
  Ni  Ni49  1  0.788057  0.076727  0.427532  1
  Ni  Ni50  1  0.136038  0.772870  0.455473  1
  Ni  Ni51  1  0.438871  0.380799  0.399789  1
  Ni  Ni52  1  0.494070  0.982517  0.390308  1
  Ni  Ni53  1  0.841810  0.678012  0.418211  1
  Ni  Ni54  1  0.189962  0.374319  0.446215  1
  Ni  Ni55  1  0.670790  0.827699  0.404843  1
  Ni  Ni56  1  0.019227  0.524222  0.432326  1
  Ni  Ni57  1  0.321074  0.131436  0.376224  1
  Ni  Ni58  1  0.964378  0.922823  0.441860  1
  Ni  Ni59  1  0.268239  0.530547  0.385035  1
  Ni  Ni60  1  0.615990  0.226034  0.414009  1
  Ni  Ni61  1  0.294600  0.076727  0.427532  1
  Ni  Ni62  1  0.642761  0.772869  0.455473  1
  Ni  Ni63  1  0.947871  0.380801  0.399788  1
  Ni  Ni64  1  0.162534  0.827701  0.404842  1
  Ni  Ni65  1  0.510589  0.524222  0.432325  1
  Ni  Ni66  1  0.816010  0.131438  0.376224  1
  Ni  Ni67  1  0.832495  0.165855  0.511122  1
  Ni  Ni68  1  0.180763  0.862212  0.539049  1
  Ni  Ni69  1  0.484134  0.469464  0.483338  1
  Ni  Ni70  1  0.538280  0.070956  0.473998  1
  Ni  Ni71  1  0.886418  0.767234  0.501865  1
  Ni  Ni72  1  0.234652  0.463701  0.529788  1
  Ni  Ni73  1  0.714666  0.916938  0.488203  1
  Ni  Ni74  1  0.063026  0.613328  0.515987  1
  Ni  Ni75  1  0.366398  0.220581  0.460277  1
  Ni  Ni76  1  0.008881  0.011837  0.525327  1
  Ni  Ni77  1  0.312508  0.619092  0.469538  1
  Ni  Ni78  1  0.660742  0.315559  0.497461  1
  Ni  Ni79  1  0.339282  0.165854  0.511123  1
  Ni  Ni80  1  0.687369  0.862213  0.539049  1
  Ni  Ni81  1  0.991258  0.469465  0.483339  1
  Ni  Ni82  1  0.207879  0.916938  0.488203  1
  Ni  Ni83  1  0.555903  0.613328  0.515987  1
  Ni  Ni84  1  0.859792  0.220580  0.460277  1
  Ni  Ni85  1  0.876370  0.255093  0.594483  1
  Ni  Ni86  1  0.226086  0.951357  0.623101  1
  Ni  Ni87  1  0.527933  0.558571  0.567000  1
  Ni  Ni88  1  0.582782  0.159969  0.557465  1
  Ni  Ni89  1  0.931171  0.856759  0.585317  1
  Ni  Ni90  1  0.278922  0.552245  0.614290  1
  Ni  Ni91  1  0.759104  0.006065  0.571793  1
  Ni  Ni92  1  0.108290  0.701993  0.599537  1
  Ni  Ni93  1  0.411123  0.309923  0.543853  1
  Ni  Ni94  1  0.053091  0.100276  0.609017  1
  Ni  Ni95  1  0.357199  0.708474  0.553110  1
  Ni  Ni96  1  0.705350  0.404781  0.581114  1
  Ni  Ni97  1  0.384626  0.255091  0.594483  1
  Ni  Ni98  1  0.731151  0.951355  0.623101  1
  Ni  Ni99  1  0.036572  0.558571  0.567001  1
  Ni  Ni100  1  0.252561  0.006066  0.571793  1
  Ni  Ni101  1  0.599290  0.701992  0.599537  1
  Ni  Ni102  1  0.904400  0.309923  0.543852  1
  Ni  Ni103  1  0.922278  0.342908  0.676932  1
  Ni  Ni104  1  0.272069  0.044734  0.704004  1
  Ni  Ni105  1  0.574717  0.648443  0.650518  1
  Ni  Ni106  1  0.627863  0.250132  0.641115  1
  Ni  Ni107  1  0.976731  0.947925  0.669167  1
  Ni  Ni108  1  0.329489  0.653410  0.694974  1
  Ni  Ni109  1  0.802896  0.096941  0.655702  1
  Ni  Ni110  1  0.145948  0.794796  0.682089  1
  Ni  Ni111  1  0.454803  0.400314  0.627811  1
  Ni  Ni112  1  0.099815  0.193774  0.691054  1
  Ni  Ni113  1  0.401549  0.797192  0.637160  1
  Ni  Ni114  1  0.750183  0.494410  0.663325  1
  Ni  Ni115  1  0.426562  0.342915  0.676933  1
  Ni  Ni116  1  0.778305  0.044731  0.704004  1
  Ni  Ni117  1  0.079639  0.648446  0.650517  1
  Ni  Ni118  1  0.299618  0.096944  0.655703  1
  Ni  Ni119  1  0.654465  0.794803  0.682091  1
  Ni  Ni120  1  0.951105  0.400311  0.627811  1
