# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43735899
_cell_length_b   12.47397159
_cell_length_c   49.98315813
_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   'Zr64 Ni32'
_cell_volume   4013.61926232
_cell_formula_units_Z   32
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  0.835279  0.237085  0.311881  1
  Zr  Zr2  1  0.832944  0.608057  0.368591  1
  Zr  Zr3  1  0.170419  0.424527  0.341240  1
  Zr  Zr4  1  0.200871  0.058185  0.287242  1
  Zr  Zr5  1  0.342197  0.290917  0.295386  1
  Zr  Zr6  1  0.332721  0.652327  0.350045  1
  Zr  Zr7  1  0.671536  0.468390  0.322554  1
  Zr  Zr8  1  0.671569  0.834142  0.378036  1
  Zr  Zr9  1  0.305109  0.558185  0.287242  1
  Zr  Zr10  1  0.335561  0.924527  0.341240  1
  Zr  Zr11  1  0.673036  0.108057  0.368591  1
  Zr  Zr12  1  0.670701  0.737085  0.311881  1
  Zr  Zr13  1  0.834411  0.334142  0.378036  1
  Zr  Zr14  1  0.834444  0.968390  0.322554  1
  Zr  Zr15  1  0.173259  0.152327  0.350045  1
  Zr  Zr16  1  0.163783  0.790917  0.295386  1
  Zr  Zr17  1  0.833353  0.973347  0.424341  1
  Zr  Zr18  1  0.833965  0.339159  0.480056  1
  Zr  Zr19  1  0.172363  0.156301  0.452232  1
  Zr  Zr20  1  0.170803  0.790492  0.396545  1
  Zr  Zr21  1  0.333790  0.017716  0.406021  1
  Zr  Zr22  1  0.334002  0.383310  0.461705  1
  Zr  Zr23  1  0.672584  0.200411  0.433869  1
  Zr  Zr24  1  0.672166  0.566159  0.489546  1
  Zr  Zr25  1  0.335177  0.290492  0.396545  1
  Zr  Zr26  1  0.333617  0.656301  0.452232  1
  Zr  Zr27  1  0.672015  0.839159  0.480056  1
  Zr  Zr28  1  0.672627  0.473347  0.424341  1
  Zr  Zr29  1  0.833813  0.066159  0.489546  1
  Zr  Zr30  1  0.833396  0.700411  0.433869  1
  Zr  Zr31  1  0.171978  0.883310  0.461705  1
  Zr  Zr32  1  0.172190  0.517716  0.406021  1
  Zr  Zr33  1  0.834002  0.704858  0.535763  1
  Zr  Zr34  1  0.833790  0.070453  0.591447  1
  Zr  Zr35  1  0.172584  0.887758  0.563599  1
  Zr  Zr36  1  0.172166  0.522010  0.507922  1
  Zr  Zr37  1  0.333965  0.749009  0.517412  1
  Zr  Zr38  1  0.333353  0.114821  0.573127  1
  Zr  Zr39  1  0.672363  0.931867  0.545236  1
  Zr  Zr40  1  0.670803  0.297677  0.600923  1
  Zr  Zr41  1  0.333813  0.022010  0.507922  1
  Zr  Zr42  1  0.333396  0.387758  0.563599  1
  Zr  Zr43  1  0.672190  0.570453  0.591447  1
  Zr  Zr44  1  0.671978  0.204858  0.535763  1
  Zr  Zr45  1  0.835177  0.797677  0.600923  1
  Zr  Zr46  1  0.833617  0.431867  0.545236  1
  Zr  Zr47  1  0.172627  0.614821  0.573127  1
  Zr  Zr48  1  0.172015  0.249009  0.517412  1
  Zr  Zr49  1  0.832721  0.435842  0.647423  1
  Zr  Zr50  1  0.842197  0.797251  0.702082  1
  Zr  Zr51  1  0.171536  0.619779  0.674914  1
  Zr  Zr52  1  0.171569  0.254026  0.619432  1
  Zr  Zr53  1  0.332944  0.480112  0.628877  1
  Zr  Zr54  1  0.335279  0.851083  0.685586  1
  Zr  Zr55  1  0.670419  0.663641  0.656228  1
  Zr  Zr56  1  0.700871  0.029983  0.710226  1
  Zr  Zr57  1  0.334411  0.754026  0.619432  1
  Zr  Zr58  1  0.334444  0.119779  0.674914  1
  Zr  Zr59  1  0.663783  0.297251  0.702082  1
  Zr  Zr60  1  0.673259  0.935842  0.647423  1
  Zr  Zr61  1  0.805109  0.529983  0.710226  1
  Zr  Zr62  1  0.835561  0.163641  0.656228  1
  Zr  Zr63  1  0.170701  0.351083  0.685586  1
  Zr  Zr64  1  0.173036  0.980112  0.628877  1
  Ni  Ni65  1  0.998313  0.606702  0.318224  1
  Ni  Ni66  1  1.001332  0.971640  0.373511  1
  Ni  Ni67  1  1.000540  0.423163  0.292210  1
  Ni  Ni68  1  0.997809  0.789164  0.345430  1
  Ni  Ni69  1  0.508171  0.289164  0.345430  1
  Ni  Ni70  1  0.505440  0.923163  0.292210  1
  Ni  Ni71  1  0.504648  0.471640  0.373511  1
  Ni  Ni72  1  0.507667  0.106702  0.318224  1
  Ni  Ni73  1  0.003480  0.336976  0.429074  1
  Ni  Ni74  1  1.002892  0.702667  0.484818  1
  Ni  Ni75  1  0.003920  0.154209  0.401341  1
  Ni  Ni76  1  0.003120  0.519783  0.456964  1
  Ni  Ni77  1  0.502860  0.019783  0.456964  1
  Ni  Ni78  1  0.502060  0.654209  0.401341  1
  Ni  Ni79  1  0.503088  0.202667  0.484818  1
  Ni  Ni80  1  0.502499  0.836976  0.429074  1
  Ni  Ni81  1  1.002860  0.068386  0.540504  1
  Ni  Ni82  1  1.002060  0.433959  0.596127  1
  Ni  Ni83  1  0.003088  0.885502  0.512649  1
  Ni  Ni84  1  1.002499  0.251193  0.568394  1
  Ni  Ni85  1  0.503480  0.751193  0.568394  1
  Ni  Ni86  1  0.502892  0.385502  0.512649  1
  Ni  Ni87  1  0.503920  0.933959  0.596127  1
  Ni  Ni88  1  0.503120  0.568386  0.540504  1
  Ni  Ni89  1  0.008171  0.799004  0.652038  1
  Ni  Ni90  1  0.005440  0.165006  0.705258  1
  Ni  Ni91  1  0.004648  0.616528  0.623957  1
  Ni  Ni92  1  0.007667  0.981467  0.679244  1
  Ni  Ni93  1  0.498313  0.481467  0.679244  1
  Ni  Ni94  1  0.501332  0.116528  0.623957  1
  Ni  Ni95  1  0.500540  0.665006  0.705258  1
  Ni  Ni96  1  0.497809  0.299004  0.652038  1
