# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.19625863
_cell_length_b   9.79686092
_cell_length_c   52.84078393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   54.17691359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr40 Ni140'
_cell_volume   5119.3118558
_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  0.957016  0.768756  0.273961  1
  Zr  Zr2  1  0.774600  0.547972  0.315360  1
  Zr  Zr3  1  0.796098  0.110986  0.310877  1
  Zr  Zr4  1  0.614673  0.882373  0.353658  1
  Zr  Zr5  1  0.358193  0.669435  0.292988  1
  Zr  Zr6  1  0.186241  0.431008  0.338279  1
  Zr  Zr7  1  0.399966  0.220435  0.290836  1
  Zr  Zr8  1  0.202382  1.000049  0.329402  1
  Zr  Zr9  1  0.597356  0.313007  0.360514  1
  Zr  Zr10  1  0.423680  0.073022  0.405895  1
  Zr  Zr11  1  0.441256  0.643993  0.399184  1
  Zr  Zr12  1  0.269299  0.400307  0.445189  1
  Zr  Zr13  1  0.011677  0.191992  0.382972  1
  Zr  Zr14  1  0.838807  0.951144  0.428917  1
  Zr  Zr15  1  0.029633  0.763704  0.376547  1
  Zr  Zr16  1  0.855074  0.521654  0.422320  1
  Zr  Zr17  1  0.253523  0.828253  0.452267  1
  Zr  Zr18  1  0.081742  0.584703  0.498306  1
  Zr  Zr19  1  0.097839  0.156481  0.491102  1
  Zr  Zr20  1  0.925983  0.912880  0.537150  1
  Zr  Zr21  1  0.667522  0.706466  0.475299  1
  Zr  Zr22  1  0.495915  0.462778  0.521299  1
  Zr  Zr23  1  0.683619  0.278289  0.468142  1
  Zr  Zr24  1  0.511932  0.034780  0.514095  1
  Zr  Zr25  1  0.910609  0.340791  0.544227  1
  Zr  Zr26  1  0.737868  0.096925  0.590197  1
  Zr  Zr27  1  0.755789  0.668101  0.583505  1
  Zr  Zr28  1  0.582621  0.427143  0.628859  1
  Zr  Zr29  1  0.324891  0.219119  0.567206  1
  Zr  Zr30  1  0.150481  0.977458  0.612767  1
  Zr  Zr31  1  0.341059  0.789821  0.560500  1
  Zr  Zr32  1  0.168132  0.548866  0.606356  1
  Zr  Zr33  1  0.566060  0.856744  0.636190  1
  Zr  Zr34  1  0.383963  0.627911  0.678305  1
  Zr  Zr35  1  0.406699  0.189345  0.674581  1
  Zr  Zr36  1  0.219879  0.970886  0.715676  1
  Zr  Zr37  1  0.978560  0.739055  0.660070  1
  Zr  Zr38  1  0.784416  0.515808  0.698919  1
  Zr  Zr39  1  0.995174  0.309726  0.651194  1
  Zr  Zr40  1  0.819769  0.072319  0.696359  1
  Ni  Ni41  1  0.780283  0.835201  0.310823  1
  Ni  Ni42  1  0.606517  0.600007  0.356862  1
  Ni  Ni43  1  0.405134  0.422918  0.324091  1
  Ni  Ni44  1  0.580244  0.652197  0.279855  1
  Ni  Ni45  1  0.554204  0.329106  0.285905  1
  Ni  Ni46  1  0.376551  0.085069  0.329275  1
  Ni  Ni47  1  0.989524  0.006933  0.344450  1
  Ni  Ni48  1  0.169202  0.239813  0.300720  1
  Ni  Ni49  1  0.195231  0.561013  0.294683  1
  Ni  Ni50  1  0.016092  0.339831  0.339567  1
  Ni  Ni51  1  0.071668  0.899291  0.297213  1
  Ni  Ni52  1  0.900523  0.657057  0.345673  1
  Ni  Ni53  1  0.400424  0.658039  0.345276  1
  Ni  Ni54  1  0.576387  0.896736  0.298191  1
  Ni  Ni55  1  0.194414  0.718377  0.332730  1
  Ni  Ni56  1  0.365471  0.957377  0.285937  1
  Ni  Ni57  1  0.816858  0.305129  0.346089  1
  Ni  Ni58  1  0.989407  0.535570  0.302025  1
  Ni  Ni59  1  0.788307  0.968021  0.352792  1
  Ni  Ni60  1  0.965606  0.208950  0.306661  1
  Ni  Ni61  1  0.581471  0.122704  0.322488  1
  Ni  Ni62  1  0.753537  0.352454  0.281214  1
  Ni  Ni63  1  0.601015  0.462300  0.317546  1
  Ni  Ni64  1  0.775933  0.692111  0.272224  1
  Ni  Ni65  1  0.677043  0.021743  0.275112  1
  Ni  Ni66  1  0.485692  0.780368  0.321555  1
  Ni  Ni67  1  0.990548  0.772285  0.322688  1
  Ni  Ni68  1  0.154252  0.026943  0.274778  1
  Ni  Ni69  1  0.433491  0.357206  0.402719  1
  Ni  Ni70  1  0.261322  0.113812  0.448733  1
  Ni  Ni71  1  0.056493  0.945090  0.414524  1
  Ni  Ni72  1  0.228166  0.185331  0.368873  1
  Ni  Ni73  1  0.199706  0.855236  0.374098  1
  Ni  Ni74  1  0.025941  0.613426  0.420482  1
  Ni  Ni75  1  0.638154  0.527297  0.436786  1
  Ni  Ni76  1  0.811027  0.769521  0.390862  1
  Ni  Ni77  1  0.840277  0.103489  0.384281  1
  Ni  Ni78  1  0.668049  0.859588  0.430878  1
  Ni  Ni79  1  0.725836  0.418143  0.391412  1
  Ni  Ni80  1  0.554028  0.175141  0.437198  1
  Ni  Ni81  1  0.054247  0.174954  0.437112  1
  Ni  Ni82  1  0.226812  0.417916  0.391534  1
  Ni  Ni83  1  0.847522  0.235409  0.425671  1
  Ni  Ni84  1  0.020119  0.477387  0.380206  1
  Ni  Ni85  1  0.470141  0.823487  0.437651  1
  Ni  Ni86  1  0.640615  0.066028  0.391840  1
  Ni  Ni87  1  0.440252  0.491444  0.443412  1
  Ni  Ni88  1  0.612016  0.734780  0.397471  1
  Ni  Ni89  1  0.224868  0.648982  0.413876  1
  Ni  Ni90  1  0.396827  0.890173  0.367412  1
  Ni  Ni91  1  0.254299  0.980840  0.407825  1
  Ni  Ni92  1  0.426873  0.222787  0.361205  1
  Ni  Ni93  1  0.311593  0.540946  0.368459  1
  Ni  Ni94  1  0.140613  0.296154  0.414365  1
  Ni  Ni95  1  0.640369  0.296297  0.414336  1
  Ni  Ni96  1  0.814082  0.536639  0.368678  1
  Ni  Ni97  1  0.089795  0.870546  0.494727  1
  Ni  Ni98  1  0.918283  0.627230  0.540687  1
  Ni  Ni99  1  0.712769  0.457380  0.506776  1
  Ni  Ni100  1  0.884130  0.701705  0.460651  1
  Ni  Ni101  1  0.854349  0.369455  0.466383  1
  Ni  Ni102  1  0.682874  0.126142  0.512276  1
  Ni  Ni103  1  0.295472  0.039481  0.528752  1
  Ni  Ni104  1  0.466862  0.283701  0.482651  1
  Ni  Ni105  1  0.496693  0.614937  0.477155  1
  Ni  Ni106  1  0.325189  0.371634  0.523051  1
  Ni  Ni107  1  0.382901  0.931321  0.483232  1
  Ni  Ni108  1  0.210991  0.688081  0.529286  1
  Ni  Ni109  1  0.711368  0.687624  0.529332  1
  Ni  Ni110  1  0.882577  0.931572  0.483127  1
  Ni  Ni111  1  0.504069  0.748745  0.517780  1
  Ni  Ni112  1  0.675538  0.992388  0.471624  1
  Ni  Ni113  1  0.127414  0.335493  0.529691  1
  Ni  Ni114  1  0.298474  0.579365  0.483784  1
  Ni  Ni115  1  0.097333  0.003906  0.535398  1
  Ni  Ni116  1  0.268621  0.248055  0.489304  1
  Ni  Ni117  1  0.881192  0.161714  0.505657  1
  Ni  Ni118  1  0.052395  0.405615  0.459731  1
  Ni  Ni119  1  0.910977  0.493144  0.500087  1
  Ni  Ni120  1  0.082393  0.737168  0.454051  1
  Ni  Ni121  1  0.968754  0.052966  0.460160  1
  Ni  Ni122  1  0.796642  0.809806  0.506180  1
  Ni  Ni123  1  0.297017  0.809565  0.506292  1
  Ni  Ni124  1  0.468217  0.053466  0.460087  1
  Ni  Ni125  1  0.746429  0.384084  0.586604  1
  Ni  Ni126  1  0.573637  0.139658  0.632728  1
  Ni  Ni127  1  0.369469  0.971103  0.598692  1
  Ni  Ni128  1  0.541279  0.213812  0.552640  1
  Ni  Ni129  1  0.511454  0.881662  0.558507  1
  Ni  Ni130  1  0.339750  0.637273  0.605137  1
  Ni  Ni131  1  0.952441  0.555064  0.620629  1
  Ni  Ni132  1  0.123285  0.795978  0.574885  1
  Ni  Ni133  1  0.154153  0.127604  0.568959  1
  Ni  Ni134  1  0.979773  0.885669  0.615195  1
  Ni  Ni135  1  0.039253  0.444755  0.575086  1
  Ni  Ni136  1  0.867054  0.200712  0.620756  1
  Ni  Ni137  1  0.366190  0.203667  0.620992  1
  Ni  Ni138  1  0.539445  0.444354  0.575120  1
  Ni  Ni139  1  0.160248  0.263642  0.609337  1
  Ni  Ni140  1  0.332175  0.505405  0.563805  1
  Ni  Ni141  1  0.783269  0.849491  0.622163  1
  Ni  Ni142  1  0.954753  0.092139  0.575511  1
  Ni  Ni143  1  0.753628  0.517749  0.628234  1
  Ni  Ni144  1  0.925144  0.760181  0.581569  1
  Ni  Ni145  1  0.539602  0.674654  0.597592  1
  Ni  Ni146  1  0.709130  0.917638  0.551773  1
  Ni  Ni147  1  0.567867  0.005186  0.592174  1
  Ni  Ni148  1  0.739381  0.249664  0.545997  1
  Ni  Ni149  1  0.625480  0.565948  0.552198  1
  Ni  Ni150  1  0.453932  0.322320  0.598122  1
  Ni  Ni151  1  0.953420  0.322804  0.597954  1
  Ni  Ni152  1  0.125324  0.566221  0.552283  1
  Ni  Ni153  1  0.400307  0.904513  0.678802  1
  Ni  Ni154  1  0.264826  0.669163  0.723297  1
  Ni  Ni155  1  0.014542  0.500143  0.689258  1
  Ni  Ni156  1  0.190028  0.733249  0.644800  1
  Ni  Ni157  1  0.165602  0.401055  0.650365  1
  Ni  Ni158  1  0.983850  0.179475  0.694498  1
  Ni  Ni159  1  0.602901  0.080242  0.710035  1
  Ni  Ni160  1  0.775099  0.317560  0.665177  1
  Ni  Ni161  1  0.805270  0.652988  0.660548  1
  Ni  Ni162  1  0.626643  0.411848  0.703409  1
  Ni  Ni163  1  0.694510  0.957608  0.668081  1
  Ni  Ni164  1  0.496414  0.715814  0.714648  1
  Ni  Ni165  1  0.031827  0.713996  0.715814  1
  Ni  Ni166  1  0.190123  0.967298  0.666721  1
  Ni  Ni167  1  0.819150  0.780190  0.703612  1
  Ni  Ni168  1  0.985058  0.024728  0.655987  1
  Ni  Ni169  1  0.435979  0.378776  0.709244  1
  Ni  Ni170  1  0.599903  0.616908  0.667131  1
  Ni  Ni171  1  0.404537  0.044087  0.717643  1
  Ni  Ni172  1  0.579582  0.275912  0.671992  1
  Ni  Ni173  1  0.190577  0.203682  0.687690  1
  Ni  Ni174  1  0.362487  0.434255  0.643597  1
  Ni  Ni175  1  0.218717  0.531074  0.684737  1
  Ni  Ni176  1  0.392242  0.772774  0.636552  1
  Ni  Ni177  1  0.279903  0.083567  0.643917  1
  Ni  Ni178  1  0.101207  0.847719  0.691191  1
  Ni  Ni179  1  0.606015  0.838080  0.692015  1
  Ni  Ni180  1  0.779757  0.081220  0.644191  1
