# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25968562
_cell_length_b   19.91384362
_cell_length_c   50.07822082
_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   4247.97087614
_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  0.751651  0.071969  0.291621  1
  Zr  Zr2  1  0.751651  0.545222  0.319165  1
  Zr  Zr3  1  0.251651  0.947643  0.314423  1
  Zr  Zr4  1  0.251651  0.451829  0.285607  1
  Zr  Zr5  1  0.751651  0.295952  0.336616  1
  Zr  Zr6  1  0.751651  0.813269  0.305289  1
  Zr  Zr7  1  0.251651  0.199299  0.300076  1
  Zr  Zr8  1  0.251651  0.696290  0.328403  1
  Zr  Zr9  1  0.751651  0.038183  0.352946  1
  Zr  Zr10  1  0.751651  0.531761  0.383324  1
  Zr  Zr11  1  0.251651  0.918749  0.377818  1
  Zr  Zr12  1  0.251651  0.433183  0.346716  1
  Zr  Zr13  1  0.751651  0.273520  0.400104  1
  Zr  Zr14  1  0.751651  0.784027  0.368183  1
  Zr  Zr15  1  0.251651  0.177789  0.362736  1
  Zr  Zr16  1  0.251651  0.660654  0.391139  1
  Zr  Zr17  1  0.751651  0.015050  0.416222  1
  Zr  Zr18  1  0.751651  0.502713  0.446929  1
  Zr  Zr19  1  0.251651  0.892468  0.439951  1
  Zr  Zr20  1  0.251651  0.407254  0.409141  1
  Zr  Zr21  1  0.751651  0.245925  0.462871  1
  Zr  Zr22  1  0.751651  0.758082  0.431161  1
  Zr  Zr23  1  0.251651  0.149857  0.424778  1
  Zr  Zr24  1  0.251651  0.637684  0.455260  1
  Zr  Zr25  1  0.751651  0.989258  0.478704  1
  Zr  Zr26  1  0.751651  0.477731  0.509551  1
  Zr  Zr27  1  0.251651  0.868542  0.502752  1
  Zr  Zr28  1  0.251651  0.381047  0.471468  1
  Zr  Zr29  1  0.751651  0.221088  0.525327  1
  Zr  Zr30  1  0.751651  0.733592  0.494042  1
  Zr  Zr31  1  0.251651  0.124403  0.487243  1
  Zr  Zr32  1  0.251651  0.612876  0.518091  1
  Zr  Zr33  1  0.751651  0.964451  0.541534  1
  Zr  Zr34  1  0.751651  0.452277  0.572017  1
  Zr  Zr35  1  0.251651  0.844052  0.565634  1
  Zr  Zr36  1  0.251651  0.356209  0.533924  1
  Zr  Zr37  1  0.751651  0.194881  0.587653  1
  Zr  Zr38  1  0.751651  0.709667  0.556844  1
  Zr  Zr39  1  0.251651  0.099421  0.549865  1
  Zr  Zr40  1  0.251651  0.587084  0.580573  1
  Zr  Zr41  1  0.751651  0.941481  0.605655  1
  Zr  Zr42  1  0.751651  0.424345  0.634058  1
  Zr  Zr43  1  0.251651  0.818107  0.628612  1
  Zr  Zr44  1  0.251651  0.328614  0.596690  1
  Zr  Zr45  1  0.751651  0.168951  0.650079  1
  Zr  Zr46  1  0.751651  0.683385  0.618977  1
  Zr  Zr47  1  0.251651  0.070373  0.613470  1
  Zr  Zr48  1  0.251651  0.563951  0.643848  1
  Zr  Zr49  1  0.751651  0.905845  0.668391  1
  Zr  Zr50  1  0.751651  0.402835  0.696718  1
  Zr  Zr51  1  0.251651  0.788866  0.691505  1
  Zr  Zr52  1  0.251651  0.306182  0.660178  1
  Zr  Zr53  1  0.751651  0.150305  0.711187  1
  Zr  Zr54  1  0.751651  0.654491  0.682372  1
  Zr  Zr55  1  0.251651  0.056912  0.677630  1
  Zr  Zr56  1  0.251651  0.530166  0.705174  1
  Ni  Ni57  1  0.751651  0.938463  0.287911  1
  Ni  Ni58  1  0.751651  0.409601  0.313564  1
  Ni  Ni59  1  0.251651  0.081818  0.325687  1
  Ni  Ni60  1  0.251651  0.592053  0.295861  1
  Ni  Ni61  1  0.751651  0.159547  0.331314  1
  Ni  Ni62  1  0.751651  0.669504  0.300907  1
  Ni  Ni63  1  0.251651  0.333748  0.311133  1
  Ni  Ni64  1  0.251651  0.828618  0.339613  1
  Ni  Ni65  1  0.751651  0.904473  0.343247  1
  Ni  Ni66  1  0.751651  0.392979  0.375205  1
  Ni  Ni67  1  0.251651  0.056398  0.386305  1
  Ni  Ni68  1  0.251651  0.572472  0.349117  1
  Ni  Ni69  1  0.751651  0.134294  0.391565  1
  Ni  Ni70  1  0.751651  0.648157  0.354278  1
  Ni  Ni71  1  0.251651  0.314312  0.370127  1
  Ni  Ni72  1  0.251651  0.797620  0.401625  1
  Ni  Ni73  1  0.751651  0.877386  0.406826  1
  Ni  Ni74  1  0.751651  0.365462  0.438812  1
  Ni  Ni75  1  0.251651  0.029841  0.449191  1
  Ni  Ni76  1  0.251651  0.543329  0.417412  1
  Ni  Ni77  1  0.751651  0.108805  0.454296  1
  Ni  Ni78  1  0.751651  0.622016  0.422547  1
  Ni  Ni79  1  0.251651  0.286653  0.433204  1
  Ni  Ni80  1  0.251651  0.774059  0.464918  1
  Ni  Ni81  1  0.751651  0.852698  0.469308  1
  Ni  Ni82  1  0.751651  0.340575  0.500821  1
  Ni  Ni83  1  0.251651  0.005098  0.511840  1
  Ni  Ni84  1  0.251651  0.518359  0.480036  1
  Ni  Ni85  1  0.751651  0.083775  0.516758  1
  Ni  Ni86  1  0.751651  0.597036  0.484954  1
  Ni  Ni87  1  0.251651  0.261559  0.495973  1
  Ni  Ni88  1  0.251651  0.749437  0.527487  1
  Ni  Ni89  1  0.751651  0.828076  0.531877  1
  Ni  Ni90  1  0.751651  0.315482  0.563590  1
  Ni  Ni91  1  0.251651  0.980118  0.574247  1
  Ni  Ni92  1  0.251651  0.493329  0.542499  1
  Ni  Ni93  1  0.751651  0.058806  0.579382  1
  Ni  Ni94  1  0.751651  0.572294  0.547604  1
  Ni  Ni95  1  0.251651  0.236672  0.557983  1
  Ni  Ni96  1  0.251651  0.724749  0.589969  1
  Ni  Ni97  1  0.751651  0.804514  0.595169  1
  Ni  Ni98  1  0.751651  0.287823  0.626667  1
  Ni  Ni99  1  0.251651  0.953977  0.642517  1
  Ni  Ni100  1  0.251651  0.467841  0.605230  1
  Ni  Ni101  1  0.751651  0.029663  0.647678  1
  Ni  Ni102  1  0.751651  0.545736  0.610490  1
  Ni  Ni103  1  0.251651  0.209156  0.621589  1
  Ni  Ni104  1  0.251651  0.697662  0.653547  1
  Ni  Ni105  1  0.751651  0.773516  0.657181  1
  Ni  Ni106  1  0.751651  0.268386  0.685661  1
  Ni  Ni107  1  0.251651  0.932630  0.695887  1
  Ni  Ni108  1  0.251651  0.442588  0.665480  1
  Ni  Ni109  1  0.751651  0.010082  0.700934  1
  Ni  Ni110  1  0.751651  0.520317  0.671108  1
  Ni  Ni111  1  0.251651  0.192533  0.683230  1
  Ni  Ni112  1  0.251651  0.663672  0.708883  1
