# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18548384
_cell_length_b   12.47666478
_cell_length_c   48.89359643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.13735978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr40 Ni140'
_cell_volume   5596.41933219
_cell_formula_units_Z   20
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  0.935521  0.505972  0.307311  1
  Zr  Zr2  1  0.075632  0.010551  0.345503  1
  Zr  Zr3  1  0.953394  0.236233  0.312534  1
  Zr  Zr4  1  0.095766  0.746611  0.349966  1
  Zr  Zr5  1  0.435521  0.505972  0.307311  1
  Zr  Zr6  1  0.575632  0.010551  0.345503  1
  Zr  Zr7  1  0.453394  0.236233  0.312534  1
  Zr  Zr8  1  0.595766  0.746611  0.349966  1
  Zr  Zr9  1  0.188423  0.524481  0.387269  1
  Zr  Zr10  1  0.310748  0.035993  0.427993  1
  Zr  Zr11  1  0.211163  0.258660  0.391197  1
  Zr  Zr12  1  0.332744  0.770005  0.433187  1
  Zr  Zr13  1  0.688423  0.524481  0.387269  1
  Zr  Zr14  1  0.810748  0.035993  0.427993  1
  Zr  Zr15  1  0.711163  0.258660  0.391197  1
  Zr  Zr16  1  0.832744  0.770005  0.433187  1
  Zr  Zr17  1  0.428132  0.546780  0.470278  1
  Zr  Zr18  1  0.544627  0.058790  0.512411  1
  Zr  Zr19  1  0.451671  0.280579  0.474718  1
  Zr  Zr20  1  0.568167  0.792589  0.516851  1
  Zr  Zr21  1  0.928132  0.546780  0.470278  1
  Zr  Zr22  1  0.044627  0.058790  0.512411  1
  Zr  Zr23  1  0.951671  0.280579  0.474718  1
  Zr  Zr24  1  0.068167  0.792589  0.516851  1
  Zr  Zr25  1  0.663554  0.569364  0.553942  1
  Zr  Zr26  1  0.785135  0.080709  0.595932  1
  Zr  Zr27  1  0.685551  0.303376  0.559136  1
  Zr  Zr28  1  0.807875  0.814888  0.599860  1
  Zr  Zr29  1  0.163554  0.569364  0.553942  1
  Zr  Zr30  1  0.285135  0.080709  0.595932  1
  Zr  Zr31  1  0.185551  0.303376  0.559136  1
  Zr  Zr32  1  0.307875  0.814888  0.599860  1
  Zr  Zr33  1  0.900532  0.592758  0.637163  1
  Zr  Zr34  1  0.042904  0.103137  0.674595  1
  Zr  Zr35  1  0.920666  0.328818  0.641626  1
  Zr  Zr36  1  0.060777  0.833397  0.679818  1
  Zr  Zr37  1  0.400532  0.592758  0.637163  1
  Zr  Zr38  1  0.542904  0.103137  0.674595  1
  Zr  Zr39  1  0.420666  0.328818  0.641626  1
  Zr  Zr40  1  0.560777  0.833397  0.679818  1
  Ni  Ni41  1  0.075897  0.380570  0.346213  1
  Ni  Ni42  1  0.969583  0.866763  0.303486  1
  Ni  Ni43  1  0.440876  0.557630  0.357891  1
  Ni  Ni44  1  0.330594  0.043178  0.316300  1
  Ni  Ni45  1  0.467081  0.210346  0.364613  1
  Ni  Ni46  1  0.354919  0.699649  0.322722  1
  Ni  Ni47  1  0.707540  0.202564  0.336907  1
  Ni  Ni48  1  0.609282  0.679385  0.299054  1
  Ni  Ni49  1  0.689228  0.547761  0.332439  1
  Ni  Ni50  1  0.583079  0.048736  0.293403  1
  Ni  Ni51  1  0.696069  0.370739  0.301904  1
  Ni  Ni52  1  0.833319  0.878004  0.345674  1
  Ni  Ni53  1  0.323447  0.378751  0.346206  1
  Ni  Ni54  1  0.213635  0.866964  0.302769  1
  Ni  Ni55  1  0.575897  0.380570  0.346213  1
  Ni  Ni56  1  0.469583  0.866763  0.303486  1
  Ni  Ni57  1  0.940876  0.557630  0.357891  1
  Ni  Ni58  1  0.830594  0.043178  0.316300  1
  Ni  Ni59  1  0.967081  0.210346  0.364613  1
  Ni  Ni60  1  0.854919  0.699649  0.322722  1
  Ni  Ni61  1  0.207540  0.202564  0.336907  1
  Ni  Ni62  1  0.109282  0.679385  0.299054  1
  Ni  Ni63  1  0.189228  0.547761  0.332439  1
  Ni  Ni64  1  0.083079  0.048736  0.293403  1
  Ni  Ni65  1  0.196069  0.370739  0.301904  1
  Ni  Ni66  1  0.333319  0.878004  0.345674  1
  Ni  Ni67  1  0.823447  0.378751  0.346206  1
  Ni  Ni68  1  0.713635  0.866964  0.302769  1
  Ni  Ni69  1  0.321050  0.402674  0.430973  1
  Ni  Ni70  1  0.204583  0.891495  0.389202  1
  Ni  Ni71  1  0.680743  0.580154  0.440875  1
  Ni  Ni72  1  0.563959  0.068619  0.398948  1
  Ni  Ni73  1  0.709990  0.232474  0.447015  1
  Ni  Ni74  1  0.590976  0.722028  0.406406  1
  Ni  Ni75  1  0.960038  0.225469  0.420426  1
  Ni  Ni76  1  0.842292  0.714692  0.379222  1
  Ni  Ni77  1  0.931209  0.572858  0.413886  1
  Ni  Ni78  1  0.815754  0.061656  0.370995  1
  Ni  Ni79  1  0.948350  0.391435  0.388442  1
  Ni  Ni80  1  0.070618  0.903275  0.430786  1
  Ni  Ni81  1  0.570707  0.402480  0.430488  1
  Ni  Ni82  1  0.452990  0.891272  0.388621  1
  Ni  Ni83  1  0.821050  0.402674  0.430973  1
  Ni  Ni84  1  0.704583  0.891495  0.389202  1
  Ni  Ni85  1  0.180743  0.580154  0.440875  1
  Ni  Ni86  1  0.063959  0.068619  0.398948  1
  Ni  Ni87  1  0.209990  0.232474  0.447015  1
  Ni  Ni88  1  0.090976  0.722028  0.406406  1
  Ni  Ni89  1  0.460038  0.225469  0.420426  1
  Ni  Ni90  1  0.342292  0.714692  0.379222  1
  Ni  Ni91  1  0.431209  0.572858  0.413886  1
  Ni  Ni92  1  0.315754  0.061656  0.370995  1
  Ni  Ni93  1  0.448350  0.391435  0.388442  1
  Ni  Ni94  1  0.570618  0.903275  0.430786  1
  Ni  Ni95  1  0.070707  0.402480  0.430488  1
  Ni  Ni96  1  0.952990  0.891272  0.388621  1
  Ni  Ni97  1  0.557523  0.424690  0.514513  1
  Ni  Ni98  1  0.438775  0.914679  0.472616  1
  Ni  Ni99  1  0.917080  0.602356  0.524219  1
  Ni  Ni100  1  0.798173  0.091990  0.482245  1
  Ni  Ni101  1  0.945819  0.254893  0.531474  1
  Ni  Ni102  1  0.827347  0.744404  0.489420  1
  Ni  Ni103  1  0.198125  0.247380  0.504884  1
  Ni  Ni104  1  0.079218  0.737013  0.462910  1
  Ni  Ni105  1  0.168951  0.594966  0.497709  1
  Ni  Ni106  1  0.050479  0.084477  0.455655  1
  Ni  Ni107  1  0.188788  0.413173  0.472622  1
  Ni  Ni108  1  0.307510  0.926196  0.514507  1
  Ni  Ni109  1  0.807495  0.424623  0.514464  1
  Ni  Ni110  1  0.688803  0.914746  0.472665  1
  Ni  Ni111  1  0.057523  0.424690  0.514513  1
  Ni  Ni112  1  0.938775  0.914679  0.472616  1
  Ni  Ni113  1  0.417080  0.602356  0.524219  1
  Ni  Ni114  1  0.298173  0.091990  0.482245  1
  Ni  Ni115  1  0.445819  0.254893  0.531474  1
  Ni  Ni116  1  0.327347  0.744404  0.489420  1
  Ni  Ni117  1  0.698125  0.247380  0.504884  1
  Ni  Ni118  1  0.579218  0.737013  0.462910  1
  Ni  Ni119  1  0.668951  0.594966  0.497709  1
  Ni  Ni120  1  0.550479  0.084477  0.455655  1
  Ni  Ni121  1  0.688788  0.413173  0.472622  1
  Ni  Ni122  1  0.807510  0.926196  0.514507  1
  Ni  Ni123  1  0.307495  0.424623  0.514464  1
  Ni  Ni124  1  0.188803  0.914746  0.472665  1
  Ni  Ni125  1  0.791715  0.447874  0.597928  1
  Ni  Ni126  1  0.675248  0.936695  0.556156  1
  Ni  Ni127  1  0.154006  0.624677  0.607907  1
  Ni  Ni128  1  0.036260  0.113900  0.566703  1
  Ni  Ni129  1  0.180544  0.277713  0.616134  1
  Ni  Ni130  1  0.065089  0.766511  0.573243  1
  Ni  Ni131  1  0.432339  0.270750  0.588181  1
  Ni  Ni132  1  0.315555  0.759216  0.546254  1
  Ni  Ni133  1  0.405322  0.617341  0.580723  1
  Ni  Ni134  1  0.286308  0.106895  0.540114  1
  Ni  Ni135  1  0.425680  0.436094  0.556343  1
  Ni  Ni136  1  0.547948  0.947934  0.598688  1
  Ni  Ni137  1  0.043308  0.448098  0.598508  1
  Ni  Ni138  1  0.925592  0.936889  0.556642  1
  Ni  Ni139  1  0.291715  0.447874  0.597928  1
  Ni  Ni140  1  0.175248  0.936695  0.556156  1
  Ni  Ni141  1  0.654006  0.624677  0.607907  1
  Ni  Ni142  1  0.536260  0.113900  0.566703  1
  Ni  Ni143  1  0.680544  0.277713  0.616134  1
  Ni  Ni144  1  0.565089  0.766511  0.573243  1
  Ni  Ni145  1  0.932339  0.270750  0.588181  1
  Ni  Ni146  1  0.815555  0.759216  0.546254  1
  Ni  Ni147  1  0.905322  0.617341  0.580723  1
  Ni  Ni148  1  0.786308  0.106895  0.540114  1
  Ni  Ni149  1  0.925680  0.436094  0.556343  1
  Ni  Ni150  1  0.047948  0.947934  0.598688  1
  Ni  Ni151  1  0.543308  0.448098  0.598508  1
  Ni  Ni152  1  0.425592  0.936889  0.556642  1
  Ni  Ni153  1  0.026715  0.472606  0.683643  1
  Ni  Ni154  1  0.920401  0.958799  0.640916  1
  Ni  Ni155  1  0.387016  0.659985  0.688075  1
  Ni  Ni156  1  0.288758  0.136806  0.650222  1
  Ni  Ni157  1  0.413219  0.290634  0.693726  1
  Ni  Ni158  1  0.307070  0.791608  0.654690  1
  Ni  Ni159  1  0.665705  0.296191  0.670830  1
  Ni  Ni160  1  0.555422  0.781739  0.629238  1
  Ni  Ni161  1  0.641380  0.639720  0.664407  1
  Ni  Ni162  1  0.529217  0.129024  0.622516  1
  Ni  Ni163  1  0.662979  0.461366  0.641455  1
  Ni  Ni164  1  0.800229  0.968630  0.685225  1
  Ni  Ni165  1  0.282663  0.472405  0.684360  1
  Ni  Ni166  1  0.172851  0.960618  0.640923  1
  Ni  Ni167  1  0.526715  0.472606  0.683643  1
  Ni  Ni168  1  0.420401  0.958799  0.640916  1
  Ni  Ni169  1  0.887016  0.659985  0.688075  1
  Ni  Ni170  1  0.788758  0.136806  0.650222  1
  Ni  Ni171  1  0.913219  0.290634  0.693726  1
  Ni  Ni172  1  0.807070  0.791608  0.654690  1
  Ni  Ni173  1  0.165705  0.296191  0.670830  1
  Ni  Ni174  1  0.055422  0.781739  0.629238  1
  Ni  Ni175  1  0.141380  0.639720  0.664407  1
  Ni  Ni176  1  0.029217  0.129024  0.622516  1
  Ni  Ni177  1  0.162979  0.461366  0.641455  1
  Ni  Ni178  1  0.300229  0.968630  0.685225  1
  Ni  Ni179  1  0.782663  0.472405  0.684360  1
  Ni  Ni180  1  0.672851  0.960618  0.640923  1
