# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41387283
_cell_length_b   17.04664264
_cell_length_c   54.31084418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr96 Ni48'
_cell_volume   5938.07604991
_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  0.333238  0.670755  0.384654  1
  Zr  Zr2  1  0.341302  0.100293  0.309430  1
  Zr  Zr3  1  0.332452  0.385317  0.347753  1
  Zr  Zr4  1  0.173860  0.742074  0.329073  1
  Zr  Zr5  1  0.176272  0.028970  0.366037  1
  Zr  Zr6  1  0.186142  0.455229  0.291798  1
  Zr  Zr7  1  0.352994  0.621617  0.291608  1
  Zr  Zr8  1  0.339067  0.909193  0.330062  1
  Zr  Zr9  1  0.333316  0.194604  0.365732  1
  Zr  Zr10  1  0.174484  0.552356  0.347241  1
  Zr  Zr11  1  0.177144  0.962829  0.278002  1
  Zr  Zr12  1  0.160645  0.268372  0.309621  1
  Zr  Zr13  1  0.841302  0.600293  0.309430  1
  Zr  Zr14  1  0.832452  0.885317  0.347753  1
  Zr  Zr15  1  0.833238  0.170755  0.384654  1
  Zr  Zr16  1  0.676272  0.528970  0.366037  1
  Zr  Zr17  1  0.686142  0.955229  0.291798  1
  Zr  Zr18  1  0.673860  0.242074  0.329073  1
  Zr  Zr19  1  0.833316  0.694604  0.365732  1
  Zr  Zr20  1  0.852994  0.121617  0.291608  1
  Zr  Zr21  1  0.839067  0.409193  0.330062  1
  Zr  Zr22  1  0.660645  0.768372  0.309621  1
  Zr  Zr23  1  0.674484  0.052356  0.347241  1
  Zr  Zr24  1  0.677144  0.462829  0.278002  1
  Zr  Zr25  1  0.333456  0.527074  0.496039  1
  Zr  Zr26  1  0.333145  0.956290  0.421795  1
  Zr  Zr27  1  0.333560  0.241610  0.458928  1
  Zr  Zr28  1  0.175114  0.598937  0.440336  1
  Zr  Zr29  1  0.174921  0.884361  0.477484  1
  Zr  Zr30  1  0.175077  0.313239  0.403214  1
  Zr  Zr31  1  0.333702  0.480080  0.403397  1
  Zr  Zr32  1  0.333272  0.765164  0.440705  1
  Zr  Zr33  1  0.333548  0.050666  0.477774  1
  Zr  Zr34  1  0.174942  0.407935  0.459201  1
  Zr  Zr35  1  0.174598  0.836888  0.385037  1
  Zr  Zr36  1  0.175235  0.122664  0.421988  1
  Zr  Zr37  1  0.833145  0.456290  0.421795  1
  Zr  Zr38  1  0.833560  0.741610  0.458928  1
  Zr  Zr39  1  0.833456  0.027074  0.496039  1
  Zr  Zr40  1  0.674921  0.384361  0.477484  1
  Zr  Zr41  1  0.675077  0.813239  0.403214  1
  Zr  Zr42  1  0.675114  0.098937  0.440336  1
  Zr  Zr43  1  0.833548  0.550666  0.477774  1
  Zr  Zr44  1  0.833702  0.980080  0.403397  1
  Zr  Zr45  1  0.833272  0.265164  0.440705  1
  Zr  Zr46  1  0.675235  0.622664  0.421988  1
  Zr  Zr47  1  0.674942  0.907935  0.459201  1
  Zr  Zr48  1  0.674598  0.336888  0.385037  1
  Zr  Zr49  1  0.333849  0.383534  0.607397  1
  Zr  Zr50  1  0.333505  0.812487  0.533233  1
  Zr  Zr51  1  0.333212  0.097758  0.570446  1
  Zr  Zr52  1  0.175175  0.455258  0.551729  1
  Zr  Zr53  1  0.174745  0.740342  0.589037  1
  Zr  Zr54  1  0.174899  0.169756  0.514660  1
  Zr  Zr55  1  0.333526  0.336062  0.514949  1
  Zr  Zr56  1  0.333333  0.621486  0.552098  1
  Zr  Zr57  1  0.333370  0.907183  0.589220  1
  Zr  Zr58  1  0.175301  0.264133  0.570639  1
  Zr  Zr59  1  0.174991  0.693348  0.496395  1
  Zr  Zr60  1  0.174887  0.978812  0.533506  1
  Zr  Zr61  1  0.833505  0.312487  0.533233  1
  Zr  Zr62  1  0.833212  0.597758  0.570446  1
  Zr  Zr63  1  0.833849  0.883534  0.607397  1
  Zr  Zr64  1  0.674745  0.240342  0.589037  1
  Zr  Zr65  1  0.674899  0.669756  0.514660  1
  Zr  Zr66  1  0.675175  0.955258  0.551729  1
  Zr  Zr67  1  0.833370  0.407183  0.589220  1
  Zr  Zr68  1  0.833526  0.836062  0.514949  1
  Zr  Zr69  1  0.833333  0.121486  0.552098  1
  Zr  Zr70  1  0.674887  0.478812  0.533506  1
  Zr  Zr71  1  0.675301  0.764133  0.570639  1
  Zr  Zr72  1  0.674991  0.193348  0.496395  1
  Zr  Zr73  1  0.331303  0.257594  0.714432  1
  Zr  Zr74  1  0.333963  0.668067  0.645193  1
  Zr  Zr75  1  0.347802  0.952051  0.682813  1
  Zr  Zr76  1  0.169380  0.311230  0.662372  1
  Zr  Zr77  1  0.155453  0.598805  0.700826  1
  Zr  Zr78  1  0.175131  0.025819  0.626702  1
  Zr  Zr79  1  0.332175  0.191452  0.626397  1
  Zr  Zr80  1  0.334587  0.478349  0.663361  1
  Zr  Zr81  1  0.322305  0.765194  0.700636  1
  Zr  Zr82  1  0.167145  0.120129  0.683004  1
  Zr  Zr83  1  0.175209  0.549667  0.607780  1
  Zr  Zr84  1  0.175995  0.835105  0.644681  1
  Zr  Zr85  1  0.833963  0.168067  0.645193  1
  Zr  Zr86  1  0.847802  0.452051  0.682813  1
  Zr  Zr87  1  0.831303  0.757594  0.714432  1
  Zr  Zr88  1  0.655453  0.098805  0.700826  1
  Zr  Zr89  1  0.675131  0.525819  0.626702  1
  Zr  Zr90  1  0.669380  0.811230  0.662372  1
  Zr  Zr91  1  0.822305  0.265194  0.700636  1
  Zr  Zr92  1  0.832175  0.691452  0.626397  1
  Zr  Zr93  1  0.834587  0.978349  0.663361  1
  Zr  Zr94  1  0.675995  0.335105  0.644681  1
  Zr  Zr95  1  0.667145  0.620129  0.683004  1
  Zr  Zr96  1  0.675209  0.049667  0.607780  1
  Ni  Ni97  1  0.507159  0.648222  0.338117  1
  Ni  Ni98  1  0.503898  0.933019  0.375927  1
  Ni  Ni99  1  0.499821  0.359694  0.304295  1
  Ni  Ni100  1  0.504179  0.789478  0.357182  1
  Ni  Ni101  1  0.513069  0.226760  0.284568  1
  Ni  Ni102  1  0.507167  0.504953  0.320522  1
  Ni  Ni103  1  0.999821  0.859694  0.304295  1
  Ni  Ni104  1  0.007159  0.148222  0.338117  1
  Ni  Ni105  1  1.003898  0.433019  0.375927  1
  Ni  Ni106  1  0.013069  0.726760  0.284568  1
  Ni  Ni107  1  0.007167  0.004953  0.320522  1
  Ni  Ni108  1  1.004179  0.289478  0.357182  1
  Ni  Ni109  1  0.504224  0.503508  0.449776  1
  Ni  Ni110  1  0.504331  0.788859  0.486951  1
  Ni  Ni111  1  0.503891  0.217984  0.412599  1
  Ni  Ni112  1  0.504383  0.646143  0.468374  1
  Ni  Ni113  1  0.504361  0.075767  0.393976  1
  Ni  Ni114  1  0.503839  0.360784  0.431238  1
  Ni  Ni115  1  1.003891  0.717984  0.412599  1
  Ni  Ni116  1  0.004224  0.003508  0.449776  1
  Ni  Ni117  1  0.004331  0.288859  0.486951  1
  Ni  Ni118  1  0.004361  0.575767  0.393976  1
  Ni  Ni119  1  1.003839  0.860784  0.431238  1
  Ni  Ni120  1  0.004383  0.146143  0.468374  1
  Ni  Ni121  1  0.504608  0.359638  0.561196  1
  Ni  Ni122  1  0.504086  0.644656  0.598458  1
  Ni  Ni123  1  0.504064  0.074280  0.524059  1
  Ni  Ni124  1  0.504556  0.502438  0.579835  1
  Ni  Ni125  1  0.504116  0.931563  0.505483  1
  Ni  Ni126  1  0.504223  0.216915  0.542658  1
  Ni  Ni127  1  1.004064  0.574280  0.524059  1
  Ni  Ni128  1  0.004608  0.859638  0.561196  1
  Ni  Ni129  1  1.004086  0.144656  0.598458  1
  Ni  Ni130  1  1.004116  0.431563  0.505483  1
  Ni  Ni131  1  1.004223  0.716915  0.542658  1
  Ni  Ni132  1  0.004556  0.002438  0.579835  1
  Ni  Ni133  1  0.501280  0.215470  0.671912  1
  Ni  Ni134  1  0.495378  0.493663  0.707865  1
  Ni  Ni135  1  0.504268  0.930944  0.635252  1
  Ni  Ni136  1  0.508626  0.360728  0.688139  1
  Ni  Ni137  1  0.504548  0.787404  0.616507  1
  Ni  Ni138  1  0.501288  0.072200  0.654316  1
  Ni  Ni139  1  0.004268  0.430944  0.635252  1
  Ni  Ni140  1  1.001280  0.715470  0.671912  1
  Ni  Ni141  1  0.995378  0.993663  0.707865  1
  Ni  Ni142  1  0.004548  0.287404  0.616507  1
  Ni  Ni143  1  1.001288  0.572200  0.654316  1
  Ni  Ni144  1  0.008626  0.860728  0.688139  1
