# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56838498
_cell_length_b   22.77244116
_cell_length_c   46.99542684
_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   'Zr48 Ni48'
_cell_volume   3818.88771574
_cell_formula_units_Z   48
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  0.503305  0.693293  0.306362  1
  Zr  Zr2  1  0.503305  0.234734  0.340207  1
  Zr  Zr3  1  1.003305  0.819455  0.316390  1
  Zr  Zr4  1  1.003305  0.360249  0.351625  1
  Zr  Zr5  1  1.003305  0.424447  0.290071  1
  Zr  Zr6  1  1.003305  0.963824  0.322414  1
  Zr  Zr7  1  0.503305  0.548429  0.300409  1
  Zr  Zr8  1  0.503305  0.090694  0.333381  1
  Zr  Zr9  1  0.503305  0.777954  0.375265  1
  Zr  Zr10  1  0.503305  0.321184  0.411490  1
  Zr  Zr11  1  1.003305  0.904369  0.386775  1
  Zr  Zr12  1  1.003305  0.447952  0.423188  1
  Zr  Zr13  1  1.003305  0.506227  0.357591  1
  Zr  Zr14  1  1.003305  0.050040  0.393125  1
  Zr  Zr15  1  0.503305  0.631946  0.369045  1
  Zr  Zr16  1  0.503305  0.176101  0.404742  1
  Zr  Zr17  1  0.503305  0.865537  0.446795  1
  Zr  Zr18  1  0.503305  0.408803  0.483092  1
  Zr  Zr19  1  1.003305  0.991974  0.458483  1
  Zr  Zr20  1  1.003305  0.535425  0.494592  1
  Zr  Zr21  1  1.003305  0.593508  0.429225  1
  Zr  Zr22  1  1.003305  0.137128  0.464879  1
  Zr  Zr23  1  0.503305  0.720115  0.440809  1
  Zr  Zr24  1  0.503305  0.263475  0.476790  1
  Zr  Zr25  1  0.503305  0.952845  0.518491  1
  Zr  Zr26  1  0.503305  0.496205  0.554472  1
  Zr  Zr27  1  1.003305  0.079192  0.530402  1
  Zr  Zr28  1  1.003305  0.622813  0.566057  1
  Zr  Zr29  1  1.003305  0.680895  0.500690  1
  Zr  Zr30  1  1.003305  0.224346  0.536799  1
  Zr  Zr31  1  0.503305  0.807517  0.512190  1
  Zr  Zr32  1  0.503305  0.350784  0.548486  1
  Zr  Zr33  1  0.503305  0.040219  0.590539  1
  Zr  Zr34  1  0.503305  0.584375  0.626236  1
  Zr  Zr35  1  1.003305  0.166280  0.602157  1
  Zr  Zr36  1  1.003305  0.710093  0.637691  1
  Zr  Zr37  1  1.003305  0.768369  0.572094  1
  Zr  Zr38  1  1.003305  0.311951  0.608507  1
  Zr  Zr39  1  0.503305  0.895137  0.583792  1
  Zr  Zr40  1  0.503305  0.438366  0.620017  1
  Zr  Zr41  1  0.503305  0.125627  0.661900  1
  Zr  Zr42  1  0.503305  0.667892  0.694873  1
  Zr  Zr43  1  1.003305  0.252496  0.672867  1
  Zr  Zr44  1  1.003305  0.791873  0.705210  1
  Zr  Zr45  1  1.003305  0.856071  0.643656  1
  Zr  Zr46  1  1.003305  0.396866  0.678892  1
  Zr  Zr47  1  0.503305  0.981587  0.655075  1
  Zr  Zr48  1  0.503305  0.523027  0.688920  1
  Ni  Ni49  1  0.503305  0.883346  0.344604  1
  Ni  Ni50  1  0.503305  0.339641  0.308154  1
  Ni  Ni51  1  1.003305  0.713840  0.346098  1
  Ni  Ni52  1  1.003305  0.170382  0.309275  1
  Ni  Ni53  1  1.003305  0.613012  0.326370  1
  Ni  Ni54  1  1.003305  0.066694  0.292005  1
  Ni  Ni55  1  0.503305  0.441421  0.328759  1
  Ni  Ni56  1  0.503305  0.897119  0.292257  1
  Ni  Ni57  1  0.503305  0.969861  0.416316  1
  Ni  Ni58  1  0.503305  0.425619  0.381344  1
  Ni  Ni59  1  1.003305  0.800130  0.417431  1
  Ni  Ni60  1  1.003305  0.256200  0.381501  1
  Ni  Ni61  1  1.003305  0.697730  0.398848  1
  Ni  Ni62  1  1.003305  0.154808  0.362010  1
  Ni  Ni63  1  0.503305  0.528022  0.399970  1
  Ni  Ni64  1  0.503305  0.985274  0.363343  1
  Ni  Ni65  1  0.503305  0.057135  0.488153  1
  Ni  Ni66  1  0.503305  0.513273  0.452571  1
  Ni  Ni67  1  1.003305  0.887649  0.488922  1
  Ni  Ni68  1  1.003305  0.343542  0.453567  1
  Ni  Ni69  1  1.003305  0.785380  0.470162  1
  Ni  Ni70  1  1.003305  0.241281  0.434580  1
  Ni  Ni71  1  0.503305  0.615615  0.471250  1
  Ni  Ni72  1  0.503305  0.071967  0.435323  1
  Ni  Ni73  1  0.503305  0.144353  0.559958  1
  Ni  Ni74  1  0.503305  0.600705  0.524031  1
  Ni  Ni75  1  1.003305  0.975039  0.560702  1
  Ni  Ni76  1  1.003305  0.430941  0.525119  1
  Ni  Ni77  1  1.003305  0.872779  0.541714  1
  Ni  Ni78  1  1.003305  0.328672  0.506359  1
  Ni  Ni79  1  0.503305  0.703048  0.542711  1
  Ni  Ni80  1  0.503305  0.159185  0.507128  1
  Ni  Ni81  1  0.503305  0.231046  0.631938  1
  Ni  Ni82  1  0.503305  0.688299  0.595312  1
  Ni  Ni83  1  1.003305  0.061512  0.633272  1
  Ni  Ni84  1  1.003305  0.518590  0.596434  1
  Ni  Ni85  1  1.003305  0.960120  0.613780  1
  Ni  Ni86  1  1.003305  0.416191  0.577851  1
  Ni  Ni87  1  0.503305  0.790701  0.613937  1
  Ni  Ni88  1  0.503305  0.246460  0.578966  1
  Ni  Ni89  1  0.503305  0.319202  0.703024  1
  Ni  Ni90  1  0.503305  0.774899  0.666522  1
  Ni  Ni91  1  1.003305  0.149626  0.703276  1
  Ni  Ni92  1  1.003305  0.603308  0.668912  1
  Ni  Ni93  1  1.003305  0.045939  0.686007  1
  Ni  Ni94  1  1.003305  0.502480  0.649183  1
  Ni  Ni95  1  0.503305  0.876679  0.687127  1
  Ni  Ni96  1  0.503305  0.332975  0.650677  1
