# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23816292
_cell_length_b   8.89150398
_cell_length_c   48.45786572
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.04956750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr28 Ni98'
_cell_volume   3717.24256116
_cell_formula_units_Z   14
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  0.285725  0.554956  0.325575  1
  Zr  Zr2  1  0.309499  0.173976  0.307915  1
  Zr  Zr3  1  0.785725  0.554956  0.325575  1
  Zr  Zr4  1  0.809499  0.173976  0.307915  1
  Zr  Zr5  1  0.140537  0.239593  0.386824  1
  Zr  Zr6  1  0.173370  0.864482  0.368326  1
  Zr  Zr7  1  0.640537  0.239593  0.386824  1
  Zr  Zr8  1  0.673370  0.864482  0.368326  1
  Zr  Zr9  1  0.994546  0.923582  0.448275  1
  Zr  Zr10  1  0.033755  0.544935  0.431954  1
  Zr  Zr11  1  0.494546  0.923582  0.448275  1
  Zr  Zr12  1  0.533755  0.544935  0.431954  1
  Zr  Zr13  1  0.852706  0.601414  0.510918  1
  Zr  Zr14  1  0.892569  0.221784  0.494812  1
  Zr  Zr15  1  0.352706  0.601414  0.510918  1
  Zr  Zr16  1  0.392569  0.221784  0.494812  1
  Zr  Zr17  1  0.712250  0.278466  0.573978  1
  Zr  Zr18  1  0.749611  0.900863  0.557225  1
  Zr  Zr19  1  0.212250  0.278466  0.573978  1
  Zr  Zr20  1  0.249611  0.900863  0.557225  1
  Zr  Zr21  1  0.570385  0.962697  0.637570  1
  Zr  Zr22  1  0.605319  0.585594  0.618806  1
  Zr  Zr23  1  0.070385  0.962697  0.637570  1
  Zr  Zr24  1  0.105319  0.585594  0.618806  1
  Zr  Zr25  1  0.434576  0.648131  0.694726  1
  Zr  Zr26  1  0.458406  0.270556  0.680685  1
  Zr  Zr27  1  0.934576  0.648131  0.694726  1
  Zr  Zr28  1  0.958406  0.270556  0.680685  1
  Ni  Ni29  1  0.297046  0.866943  0.312163  1
  Ni  Ni30  1  0.589038  0.398266  0.339704  1
  Ni  Ni31  1  0.587098  0.114533  0.333589  1
  Ni  Ni32  1  1.001707  0.328080  0.296197  1
  Ni  Ni33  1  0.026191  0.595233  0.299268  1
  Ni  Ni34  1  0.101620  0.054479  0.280575  1
  Ni  Ni35  1  0.549342  0.869548  0.312844  1
  Ni  Ni36  1  0.797046  0.866943  0.312163  1
  Ni  Ni37  1  0.089038  0.398266  0.339704  1
  Ni  Ni38  1  0.087098  0.114533  0.333589  1
  Ni  Ni39  1  0.501707  0.328080  0.296197  1
  Ni  Ni40  1  0.526191  0.595233  0.299268  1
  Ni  Ni41  1  0.601620  0.054479  0.280575  1
  Ni  Ni42  1  0.049342  0.869548  0.312844  1
  Ni  Ni43  1  0.156921  0.554046  0.377729  1
  Ni  Ni44  1  0.441104  0.087689  0.400093  1
  Ni  Ni45  1  0.446570  0.805744  0.396357  1
  Ni  Ni46  1  0.869930  0.014209  0.353813  1
  Ni  Ni47  1  0.869016  0.297164  0.358567  1
  Ni  Ni48  1  0.976440  0.713060  0.345510  1
  Ni  Ni49  1  0.408508  0.552499  0.377947  1
  Ni  Ni50  1  0.656921  0.554046  0.377729  1
  Ni  Ni51  1  0.941104  0.087689  0.400093  1
  Ni  Ni52  1  0.946570  0.805744  0.396357  1
  Ni  Ni53  1  0.369930  0.014209  0.353813  1
  Ni  Ni54  1  0.369016  0.297164  0.358567  1
  Ni  Ni55  1  0.476440  0.713060  0.345510  1
  Ni  Ni56  1  0.908508  0.552499  0.377947  1
  Ni  Ni57  1  0.014899  0.233176  0.440320  1
  Ni  Ni58  1  0.297396  0.768425  0.462653  1
  Ni  Ni59  1  0.307295  0.482773  0.459782  1
  Ni  Ni60  1  0.729700  0.700138  0.417215  1
  Ni  Ni61  1  0.722068  0.982875  0.420802  1
  Ni  Ni62  1  0.835583  0.393311  0.409047  1
  Ni  Ni63  1  0.265070  0.233183  0.440539  1
  Ni  Ni64  1  0.514899  0.233176  0.440320  1
  Ni  Ni65  1  0.797396  0.768425  0.462653  1
  Ni  Ni66  1  0.807295  0.482773  0.459782  1
  Ni  Ni67  1  0.229700  0.700138  0.417215  1
  Ni  Ni68  1  0.222068  0.982875  0.420802  1
  Ni  Ni69  1  0.335583  0.393311  0.409047  1
  Ni  Ni70  1  0.765070  0.233183  0.440539  1
  Ni  Ni71  1  0.872397  0.911877  0.502809  1
  Ni  Ni72  1  0.156614  0.445457  0.525510  1
  Ni  Ni73  1  0.165837  0.160233  0.522538  1
  Ni  Ni74  1  0.589023  0.377664  0.480301  1
  Ni  Ni75  1  0.579204  0.663480  0.483128  1
  Ni  Ni76  1  0.693333  0.072822  0.471669  1
  Ni  Ni77  1  0.122407  0.911824  0.502801  1
  Ni  Ni78  1  0.372397  0.911877  0.502809  1
  Ni  Ni79  1  0.656614  0.445457  0.525510  1
  Ni  Ni80  1  0.665837  0.160233  0.522538  1
  Ni  Ni81  1  0.089023  0.377664  0.480301  1
  Ni  Ni82  1  0.079204  0.663480  0.483128  1
  Ni  Ni83  1  0.193333  0.072822  0.471669  1
  Ni  Ni84  1  0.622407  0.911824  0.502801  1
  Ni  Ni85  1  0.730362  0.590966  0.565265  1
  Ni  Ni86  1  0.015788  0.124245  0.588584  1
  Ni  Ni87  1  0.021635  0.842421  0.584702  1
  Ni  Ni88  1  0.447286  0.055422  0.543025  1
  Ni  Ni89  1  0.438606  0.340326  0.546068  1
  Ni  Ni90  1  0.551429  0.750822  0.533918  1
  Ni  Ni91  1  0.980331  0.590579  0.565119  1
  Ni  Ni92  1  0.230362  0.590966  0.565265  1
  Ni  Ni93  1  0.515788  0.124245  0.588584  1
  Ni  Ni94  1  0.521635  0.842421  0.584702  1
  Ni  Ni95  1  0.947286  0.055422  0.543025  1
  Ni  Ni96  1  0.938606  0.340326  0.546068  1
  Ni  Ni97  1  0.051429  0.750822  0.533918  1
  Ni  Ni98  1  0.480331  0.590579  0.565119  1
  Ni  Ni99  1  0.588944  0.270637  0.628149  1
  Ni  Ni100  1  0.872727  0.813711  0.651213  1
  Ni  Ni101  1  0.878403  0.527035  0.646685  1
  Ni  Ni102  1  0.303036  0.737884  0.605291  1
  Ni  Ni103  1  0.298244  0.019679  0.609438  1
  Ni  Ni104  1  0.409788  0.430847  0.596693  1
  Ni  Ni105  1  0.837245  0.271664  0.628132  1
  Ni  Ni106  1  0.088944  0.270637  0.628149  1
  Ni  Ni107  1  0.372727  0.813711  0.651213  1
  Ni  Ni108  1  0.378403  0.527035  0.646685  1
  Ni  Ni109  1  0.803036  0.737884  0.605291  1
  Ni  Ni110  1  0.798244  0.019679  0.609438  1
  Ni  Ni111  1  0.909788  0.430847  0.596693  1
  Ni  Ni112  1  0.337245  0.271664  0.628132  1
  Ni  Ni113  1  0.448078  0.954806  0.693482  1
  Ni  Ni114  1  0.734680  0.516086  0.709578  1
  Ni  Ni115  1  0.719099  0.234132  0.706532  1
  Ni  Ni116  1  0.159410  0.426762  0.666150  1
  Ni  Ni117  1  0.156076  0.712502  0.670146  1
  Ni  Ni118  1  0.266877  0.111178  0.660837  1
  Ni  Ni119  1  0.695804  0.951310  0.693668  1
  Ni  Ni120  1  0.948078  0.954806  0.693482  1
  Ni  Ni121  1  0.234680  0.516086  0.709578  1
  Ni  Ni122  1  0.219099  0.234132  0.706532  1
  Ni  Ni123  1  0.659410  0.426762  0.666150  1
  Ni  Ni124  1  0.656076  0.712502  0.670146  1
  Ni  Ni125  1  0.766877  0.111178  0.660837  1
  Ni  Ni126  1  0.195804  0.951310  0.693668  1
