# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79831431
_cell_length_b   8.12839190
_cell_length_c   47.92233927
_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   3816.75260278
_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  0.640397  0.296985  0.329774  1
  Zr  Zr2  1  0.637639  0.686407  0.297759  1
  Zr  Zr3  1  0.864529  0.602568  0.347433  1
  Zr  Zr4  1  0.866399  0.986859  0.312669  1
  Zr  Zr5  1  0.136905  0.486859  0.312669  1
  Zr  Zr6  1  0.138775  0.102568  0.347433  1
  Zr  Zr7  1  0.365665  0.186407  0.297759  1
  Zr  Zr8  1  0.362907  0.796985  0.329774  1
  Zr  Zr9  1  0.639279  0.521160  0.400632  1
  Zr  Zr10  1  0.638374  0.908730  0.363687  1
  Zr  Zr11  1  0.863626  0.828675  0.418101  1
  Zr  Zr12  1  0.864359  0.214609  0.381896  1
  Zr  Zr13  1  0.138945  0.714609  0.381896  1
  Zr  Zr14  1  0.139678  0.328675  0.418101  1
  Zr  Zr15  1  0.364930  0.408730  0.363687  1
  Zr  Zr16  1  0.364025  0.021160  0.400632  1
  Zr  Zr17  1  0.639485  0.749859  0.472119  1
  Zr  Zr18  1  0.639988  0.135811  0.436426  1
  Zr  Zr19  1  0.864055  0.056821  0.490089  1
  Zr  Zr20  1  0.864031  0.442873  0.454362  1
  Zr  Zr21  1  0.139273  0.942873  0.454362  1
  Zr  Zr22  1  0.139249  0.556821  0.490089  1
  Zr  Zr23  1  0.363316  0.635811  0.436426  1
  Zr  Zr24  1  0.363819  0.249859  0.472119  1
  Zr  Zr25  1  0.639273  0.977767  0.543664  1
  Zr  Zr26  1  0.639249  0.363819  0.507936  1
  Zr  Zr27  1  0.863316  0.284830  0.561600  1
  Zr  Zr28  1  0.863819  0.670781  0.525907  1
  Zr  Zr29  1  0.139485  0.170781  0.525907  1
  Zr  Zr30  1  0.139988  0.784830  0.561600  1
  Zr  Zr31  1  0.364055  0.863819  0.507936  1
  Zr  Zr32  1  0.364031  0.477767  0.543664  1
  Zr  Zr33  1  0.638945  0.206032  0.616129  1
  Zr  Zr34  1  0.639678  0.591965  0.579925  1
  Zr  Zr35  1  0.864930  0.511911  0.634338  1
  Zr  Zr36  1  0.864025  0.899480  0.597393  1
  Zr  Zr37  1  0.139279  0.399480  0.597393  1
  Zr  Zr38  1  0.138374  0.011911  0.634338  1
  Zr  Zr39  1  0.363626  0.091965  0.579925  1
  Zr  Zr40  1  0.364359  0.706032  0.616129  1
  Zr  Zr41  1  0.636905  0.433781  0.685357  1
  Zr  Zr42  1  0.638775  0.818073  0.650592  1
  Zr  Zr43  1  0.865665  0.734233  0.700266  1
  Zr  Zr44  1  0.862907  0.123655  0.668251  1
  Zr  Zr45  1  0.140397  0.623655  0.668251  1
  Zr  Zr46  1  0.137639  0.234233  0.700266  1
  Zr  Zr47  1  0.364529  0.318073  0.650592  1
  Zr  Zr48  1  0.366399  0.933781  0.685357  1
  Ni  Ni49  1  0.922940  0.298053  0.327325  1
  Ni  Ni50  1  0.916292  0.674530  0.293574  1
  Ni  Ni51  1  0.578586  0.600026  0.347298  1
  Ni  Ni52  1  0.580220  0.989884  0.309986  1
  Ni  Ni53  1  0.423084  0.489884  0.309986  1
  Ni  Ni54  1  0.424718  0.100026  0.347298  1
  Ni  Ni55  1  0.087012  0.174530  0.293574  1
  Ni  Ni56  1  0.080364  0.798053  0.327325  1
  Ni  Ni57  1  0.922415  0.520014  0.400893  1
  Ni  Ni58  1  0.923216  0.907647  0.364523  1
  Ni  Ni59  1  0.581201  0.829142  0.418271  1
  Ni  Ni60  1  0.582221  0.214783  0.382979  1
  Ni  Ni61  1  0.421083  0.714783  0.382979  1
  Ni  Ni62  1  0.422103  0.329142  0.418271  1
  Ni  Ni63  1  0.080088  0.407647  0.364523  1
  Ni  Ni64  1  0.080889  0.020014  0.400893  1
  Ni  Ni65  1  0.922306  0.749977  0.472017  1
  Ni  Ni66  1  0.922238  0.136362  0.436158  1
  Ni  Ni67  1  0.580862  0.056934  0.490060  1
  Ni  Ni68  1  0.580689  0.442688  0.454179  1
  Ni  Ni69  1  0.422615  0.942688  0.454179  1
  Ni  Ni70  1  0.422442  0.556934  0.490060  1
  Ni  Ni71  1  0.081066  0.636362  0.436158  1
  Ni  Ni72  1  0.080998  0.249977  0.472017  1
  Ni  Ni73  1  0.922615  0.977952  0.543846  1
  Ni  Ni74  1  0.922442  0.363706  0.507965  1
  Ni  Ni75  1  0.581066  0.284278  0.561867  1
  Ni  Ni76  1  0.580998  0.670663  0.526008  1
  Ni  Ni77  1  0.422306  0.170663  0.526008  1
  Ni  Ni78  1  0.422238  0.784278  0.561867  1
  Ni  Ni79  1  0.080862  0.863706  0.507965  1
  Ni  Ni80  1  0.080689  0.477952  0.543846  1
  Ni  Ni81  1  0.921083  0.205857  0.615046  1
  Ni  Ni82  1  0.922103  0.591498  0.579754  1
  Ni  Ni83  1  0.580088  0.512993  0.633503  1
  Ni  Ni84  1  0.580889  0.900626  0.597133  1
  Ni  Ni85  1  0.422415  0.400626  0.597133  1
  Ni  Ni86  1  0.423216  0.012993  0.633503  1
  Ni  Ni87  1  0.081201  0.091498  0.579754  1
  Ni  Ni88  1  0.082221  0.705857  0.615046  1
  Ni  Ni89  1  0.923084  0.430757  0.688040  1
  Ni  Ni90  1  0.924718  0.820615  0.650727  1
  Ni  Ni91  1  0.587012  0.746110  0.704452  1
  Ni  Ni92  1  0.580364  0.122587  0.670701  1
  Ni  Ni93  1  0.422940  0.622587  0.670701  1
  Ni  Ni94  1  0.416292  0.246110  0.704452  1
  Ni  Ni95  1  0.078586  0.320615  0.650727  1
  Ni  Ni96  1  0.080220  0.930757  0.688040  1
