# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56914046
_cell_length_b   7.69635833
_cell_length_c   55.50471593
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.32519645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr24 Ni63'
_cell_volume   2714.6914828
_cell_formula_units_Z   3
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  0.837580  0.526591  0.320932  1
  Zr  Zr2  1  0.209030  0.644196  0.392250  1
  Zr  Zr3  1  0.468243  0.097748  0.414862  1
  Zr  Zr4  1  0.598933  0.071415  0.301029  1
  Zr  Zr5  1  0.260991  0.133827  0.351578  1
  Zr  Zr6  1  0.793193  0.033335  0.361271  1
  Zr  Zr7  1  0.307184  0.628212  0.314491  1
  Zr  Zr8  1  0.743111  0.537605  0.399712  1
  Zr  Zr9  1  0.342047  0.605593  0.463043  1
  Zr  Zr10  1  0.707906  0.723887  0.534511  1
  Zr  Zr11  1  0.965625  0.177968  0.557092  1
  Zr  Zr12  1  0.084328  0.151512  0.440461  1
  Zr  Zr13  1  0.758572  0.215399  0.493731  1
  Zr  Zr14  1  0.291381  0.114081  0.503823  1
  Zr  Zr15  1  0.808285  0.712015  0.455713  1
  Zr  Zr16  1  0.241668  0.617465  0.541840  1
  Zr  Zr17  1  0.840923  0.685284  0.605303  1
  Zr  Zr18  1  0.212374  0.802889  0.676622  1
  Zr  Zr19  1  0.451021  0.258065  0.696525  1
  Zr  Zr20  1  0.581710  0.231732  0.582691  1
  Zr  Zr21  1  0.256760  0.296145  0.636282  1
  Zr  Zr22  1  0.788962  0.195653  0.645976  1
  Zr  Zr23  1  0.306842  0.791875  0.597842  1
  Zr  Zr24  1  0.742769  0.701268  0.683063  1
  Ni  Ni25  1  0.524630  0.584883  0.356433  1
  Ni  Ni26  1  0.552529  0.308623  0.333800  1
  Ni  Ni27  1  0.499592  0.861487  0.379458  1
  Ni  Ni28  1  0.586240  0.397825  0.290464  1
  Ni  Ni29  1  0.473324  0.768987  0.423471  1
  Ni  Ni30  1  0.917966  0.180767  0.320396  1
  Ni  Ni31  1  0.131351  0.989363  0.393372  1
  Ni  Ni32  1  0.921100  0.847451  0.319710  1
  Ni  Ni33  1  0.554459  0.849190  0.334025  1
  Ni  Ni34  1  0.498989  0.317658  0.378742  1
  Ni  Ni35  1  0.804255  0.202474  0.407111  1
  Ni  Ni36  1  0.245123  0.967544  0.307753  1
  Ni  Ni37  1  0.819250  0.863216  0.406589  1
  Ni  Ni38  1  0.233639  0.305870  0.308721  1
  Ni  Ni39  1  0.594413  0.745812  0.290561  1
  Ni  Ni40  1  0.441751  0.420866  0.421751  1
  Ni  Ni41  1  0.866219  0.694364  0.362014  1
  Ni  Ni42  1  0.183032  0.475749  0.350839  1
  Ni  Ni43  1  0.865869  0.347879  0.361645  1
  Ni  Ni44  1  0.186858  0.821572  0.351190  1
  Ni  Ni45  1  0.133322  0.314501  0.393391  1
  Ni  Ni46  1  0.024977  0.664740  0.498777  1
  Ni  Ni47  1  0.052008  0.386411  0.475876  1
  Ni  Ni48  1  0.997945  0.943069  0.521678  1
  Ni  Ni49  1  0.077606  0.481039  0.431870  1
  Ni  Ni50  1  0.972348  0.848441  0.565684  1
  Ni  Ni51  1  0.420783  0.259894  0.462107  1
  Ni  Ni52  1  0.629170  0.069586  0.535447  1
  Ni  Ni53  1  0.418519  0.935459  0.462020  1
  Ni  Ni54  1  0.052804  0.932658  0.476761  1
  Ni  Ni55  1  0.997149  0.396822  0.520793  1
  Ni  Ni56  1  0.301880  0.282601  0.549416  1
  Ni  Ni57  1  0.748074  0.046879  0.448138  1
  Ni  Ni58  1  0.317581  0.943348  0.548890  1
  Ni  Ni59  1  0.732372  0.386132  0.448663  1
  Ni  Ni60  1  0.109228  0.828304  0.433603  1
  Ni  Ni61  1  0.940725  0.501176  0.563951  1
  Ni  Ni62  1  0.365267  0.774159  0.504654  1
  Ni  Ni63  1  0.684686  0.555321  0.492900  1
  Ni  Ni64  1  0.363577  0.427733  0.504014  1
  Ni  Ni65  1  0.686376  0.901747  0.493540  1
  Ni  Ni66  1  0.631434  0.394021  0.535534  1
  Ni  Ni67  1  0.525324  0.744597  0.641121  1
  Ni  Ni68  1  0.550361  0.467993  0.618096  1
  Ni  Ni69  1  0.497425  0.020857  0.663753  1
  Ni  Ni70  1  0.576629  0.560493  0.574083  1
  Ni  Ni71  1  0.463713  0.931655  0.707090  1
  Ni  Ni72  1  0.918602  0.340117  0.604182  1
  Ni  Ni73  1  0.131988  0.148713  0.677158  1
  Ni  Ni74  1  0.916632  0.014979  0.604163  1
  Ni  Ni75  1  0.550964  0.011822  0.618811  1
  Ni  Ni76  1  0.495494  0.480290  0.663529  1
  Ni  Ni77  1  0.804831  0.361936  0.689801  1
  Ni  Ni78  1  0.245698  0.127006  0.590443  1
  Ni  Ni79  1  0.816314  0.023610  0.688833  1
  Ni  Ni80  1  0.230703  0.466264  0.590965  1
  Ni  Ni81  1  0.608203  0.908614  0.575803  1
  Ni  Ni82  1  0.455541  0.583668  0.706993  1
  Ni  Ni83  1  0.866921  0.853731  0.646715  1
  Ni  Ni84  1  0.183734  0.635116  0.635540  1
  Ni  Ni85  1  0.863095  0.507908  0.646363  1
  Ni  Ni86  1  0.184085  0.981601  0.635909  1
  Ni  Ni87  1  0.128854  0.482029  0.677844  1
