# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.77672213
_cell_length_b   14.75453350
_cell_length_c   48.31103880
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta252
_cell_volume   10021.9522344
_cell_formula_units_Z   252
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
  Ta  Ta1  1  0.702843  0.216738  0.324896  1
  Ta  Ta2  1  0.051904  0.882685  0.317262  1
  Ta  Ta3  1  0.111072  0.288874  0.316947  1
  Ta  Ta4  1  0.492294  0.314192  0.294559  1
  Ta  Ta5  1  0.785773  0.970497  0.295484  1
  Ta  Ta6  1  0.141552  0.647519  0.282239  1
  Ta  Ta7  1  0.425778  0.563718  0.339006  1
  Ta  Ta8  1  0.414934  0.914937  0.304625  1
  Ta  Ta9  1  0.762424  0.583835  0.300192  1
  Ta  Ta10  1  0.870852  0.070865  0.333265  1
  Ta  Ta11  1  0.244224  0.707739  0.319793  1
  Ta  Ta12  1  0.238907  0.101425  0.310719  1
  Ta  Ta13  1  0.604358  0.117191  0.295218  1
  Ta  Ta14  1  0.953628  0.790242  0.284846  1
  Ta  Ta15  1  0.346984  0.504323  0.295377  1
  Ta  Ta16  1  0.566500  0.395157  0.333687  1
  Ta  Ta17  1  0.603060  0.742866  0.299644  1
  Ta  Ta18  1  0.936131  0.434698  0.305970  1
  Ta  Ta19  1  0.689364  0.038278  0.343279  1
  Ta  Ta20  1  0.049222  0.685761  0.329805  1
  Ta  Ta21  1  0.056854  0.085015  0.320991  1
  Ta  Ta22  1  0.419500  0.117269  0.301780  1
  Ta  Ta23  1  0.778386  0.773301  0.291730  1
  Ta  Ta24  1  0.139638  0.468069  0.299145  1
  Ta  Ta25  1  0.545314  0.517153  0.286603  1
  Ta  Ta26  1  0.425613  0.714734  0.308258  1
  Ta  Ta27  1  0.735378  0.404901  0.312609  1
  Ta  Ta28  1  0.914434  0.259870  0.324220  1
  Ta  Ta29  1  0.234408  0.899007  0.312864  1
  Ta  Ta30  1  0.302677  0.311037  0.307704  1
  Ta  Ta31  1  0.504935  0.205174  0.342132  1
  Ta  Ta32  1  0.886729  0.861074  0.335892  1
  Ta  Ta33  1  0.223507  0.542163  0.339181  1
  Ta  Ta34  1  0.602578  0.588000  0.329240  1
  Ta  Ta35  1  0.597598  0.934733  0.297571  1
  Ta  Ta36  1  0.958122  0.604031  0.288391  1
  Ta  Ta37  1  0.595503  0.101407  0.393172  1
  Ta  Ta38  1  0.959983  0.761578  0.382596  1
  Ta  Ta39  1  0.957524  0.160971  0.375875  1
  Ta  Ta40  1  0.317381  0.191098  0.352279  1
  Ta  Ta41  1  0.706480  0.848941  0.341196  1
  Ta  Ta42  1  0.026120  0.511611  0.344516  1
  Ta  Ta43  1  0.281856  0.462738  0.402371  1
  Ta  Ta44  1  0.337067  0.799051  0.357255  1
  Ta  Ta45  1  0.649314  0.478282  0.373837  1
  Ta  Ta46  1  0.806503  0.939204  0.386773  1
  Ta  Ta47  1  0.113539  0.599428  0.386631  1
  Ta  Ta48  1  0.154409  0.978013  0.361619  1
  Ta  Ta49  1  0.509148  0.013737  0.345649  1
  Ta  Ta50  1  0.867050  0.670890  0.336623  1
  Ta  Ta51  1  0.194633  0.374222  0.358684  1
  Ta  Ta52  1  0.407302  0.278746  0.397398  1
  Ta  Ta53  1  0.506409  0.662033  0.377226  1
  Ta  Ta54  1  0.785114  0.304854  0.365855  1
  Ta  Ta55  1  0.613619  0.909888  0.391782  1
  Ta  Ta56  1  0.907542  0.575792  0.392211  1
  Ta  Ta57  1  0.982665  0.961226  0.373060  1
  Ta  Ta58  1  0.329920  0.995544  0.353054  1
  Ta  Ta59  1  0.695843  0.677283  0.360461  1
  Ta  Ta60  1  0.993281  0.348458  0.364455  1
  Ta  Ta61  1  0.385896  0.389088  0.348465  1
  Ta  Ta62  1  0.305873  0.637516  0.381998  1
  Ta  Ta63  1  0.596504  0.287370  0.382434  1
  Ta  Ta64  1  0.775566  0.132308  0.385269  1
  Ta  Ta65  1  0.138018  0.784775  0.365564  1
  Ta  Ta66  1  0.135159  0.174597  0.362517  1
  Ta  Ta67  1  0.416368  0.084959  0.397433  1
  Ta  Ta68  1  0.782531  0.761470  0.401171  1
  Ta  Ta69  1  0.076434  0.437732  0.407235  1
  Ta  Ta70  1  0.471285  0.474749  0.391846  1
  Ta  Ta71  1  0.521749  0.819628  0.348266  1
  Ta  Ta72  1  0.821728  0.487847  0.351560  1
  Ta  Ta73  1  0.508573  0.974474  0.443098  1
  Ta  Ta74  1  0.810775  0.655816  0.451732  1
  Ta  Ta75  1  0.891869  0.027764  0.429558  1
  Ta  Ta76  1  0.239622  0.070545  0.405299  1
  Ta  Ta77  1  0.593327  0.749411  0.417824  1
  Ta  Ta78  1  0.869876  0.396454  0.409113  1
  Ta  Ta79  1  0.131786  0.341141  0.464216  1
  Ta  Ta80  1  0.192609  0.690294  0.428374  1
  Ta  Ta81  1  0.498698  0.365030  0.440291  1
  Ta  Ta82  1  0.678916  0.833880  0.459303  1
  Ta  Ta83  1  0.958555  0.485026  0.452548  1
  Ta  Ta84  1  0.036753  0.853266  0.422540  1
  Ta  Ta85  1  0.421564  0.887652  0.400076  1
  Ta  Ta86  1  0.728743  0.571673  0.411913  1
  Ta  Ta87  1  0.043416  0.252351  0.420195  1
  Ta  Ta88  1  0.322353  0.157718  0.450267  1
  Ta  Ta89  1  0.367168  0.549483  0.444960  1
  Ta  Ta90  1  0.678134  0.190165  0.437218  1
  Ta  Ta91  1  0.478938  0.809426  0.465798  1
  Ta  Ta92  1  0.769123  0.462498  0.462980  1
  Ta  Ta93  1  0.866332  0.843401  0.444084  1
  Ta  Ta94  1  0.224070  0.866425  0.408671  1
  Ta  Ta95  1  0.555705  0.562462  0.432655  1
  Ta  Ta96  1  0.858260  0.223359  0.429320  1
  Ta  Ta97  1  0.224731  0.266780  0.408227  1
  Ta  Ta98  1  0.163147  0.522694  0.449571  1
  Ta  Ta99  1  0.498795  0.170765  0.443560  1
  Ta  Ta100  1  0.702874  0.997743  0.436804  1
  Ta  Ta101  1  0.993225  0.659854  0.434618  1
  Ta  Ta102  1  0.067908  0.050454  0.417003  1
  Ta  Ta103  1  0.308502  0.952733  0.451316  1
  Ta  Ta104  1  0.640005  0.648403  0.473025  1
  Ta  Ta105  1  0.941146  0.313386  0.472640  1
  Ta  Ta106  1  0.318280  0.355496  0.454277  1
  Ta  Ta107  1  0.392916  0.723337  0.424146  1
  Ta  Ta108  1  0.682707  0.374950  0.423238  1
  Ta  Ta109  1  0.367022  0.858095  0.513076  1
  Ta  Ta110  1  0.673769  0.537522  0.521568  1
  Ta  Ta111  1  0.765844  0.916924  0.501496  1
  Ta  Ta112  1  0.120974  0.935638  0.464257  1
  Ta  Ta113  1  0.454405  0.634565  0.486863  1
  Ta  Ta114  1  0.756232  0.281265  0.480562  1
  Ta  Ta115  1  0.053273  0.202775  0.515399  1
  Ta  Ta116  1  0.051110  0.568408  0.496184  1
  Ta  Ta117  1  0.402051  0.239688  0.497000  1
  Ta  Ta118  1  0.540434  0.719105  0.528650  1
  Ta  Ta119  1  0.833766  0.371586  0.523345  1
  Ta  Ta120  1  0.896578  0.735130  0.492719  1
  Ta  Ta121  1  0.280614  0.773688  0.470978  1
  Ta  Ta122  1  0.589456  0.452068  0.481041  1
  Ta  Ta123  1  0.974924  0.115184  0.472494  1
  Ta  Ta124  1  0.205973  0.021112  0.506660  1
  Ta  Ta125  1  0.224091  0.424054  0.509458  1
  Ta  Ta126  1  0.594953  0.059620  0.487543  1
  Ta  Ta127  1  0.338507  0.687608  0.534112  1
  Ta  Ta128  1  0.649577  0.345108  0.532193  1
  Ta  Ta129  1  0.725580  0.730590  0.513847  1
  Ta  Ta130  1  0.079790  0.743617  0.476807  1
  Ta  Ta131  1  0.414188  0.441517  0.498606  1
  Ta  Ta132  1  0.788200  0.086485  0.480785  1
  Ta  Ta133  1  0.150484  0.138057  0.460650  1
  Ta  Ta134  1  0.025558  0.400820  0.516077  1
  Ta  Ta135  1  0.395395  0.037660  0.494639  1
  Ta  Ta136  1  0.566627  0.893003  0.508100  1
  Ta  Ta137  1  0.855024  0.546312  0.504062  1
  Ta  Ta138  1  0.950064  0.926556  0.485334  1
  Ta  Ta139  1  0.165831  0.827759  0.518743  1
  Ta  Ta140  1  0.501654  0.527730  0.541409  1
  Ta  Ta141  1  0.869265  0.175797  0.523885  1
  Ta  Ta142  1  0.228628  0.224114  0.505409  1
  Ta  Ta143  1  0.251576  0.604159  0.491932  1
  Ta  Ta144  1  0.576571  0.257095  0.488365  1
  Ta  Ta145  1  0.226688  0.736646  0.581304  1
  Ta  Ta146  1  0.552659  0.410466  0.587578  1
  Ta  Ta147  1  0.627227  0.802312  0.570406  1
  Ta  Ta148  1  0.982865  0.816326  0.533806  1
  Ta  Ta149  1  0.313586  0.507846  0.553372  1
  Ta  Ta150  1  0.679231  0.146175  0.531581  1
  Ta  Ta151  1  0.936274  0.086643  0.584839  1
  Ta  Ta152  1  0.916873  0.459766  0.566384  1
  Ta  Ta153  1  0.296134  0.105503  0.549796  1
  Ta  Ta154  1  0.398461  0.594356  0.596415  1
  Ta  Ta155  1  0.762641  0.234596  0.574866  1
  Ta  Ta156  1  0.756981  0.620455  0.562224  1
  Ta  Ta157  1  0.140794  0.650874  0.539068  1
  Ta  Ta158  1  0.475386  0.322738  0.543268  1
  Ta  Ta159  1  0.851673  1.000875  0.543440  1
  Ta  Ta160  1  0.066908  0.901269  0.574738  1
  Ta  Ta161  1  0.127548  0.290151  0.559049  1
  Ta  Ta162  1  0.455051  0.939669  0.555259  1
  Ta  Ta163  1  0.199158  0.570818  0.604077  1
  Ta  Ta164  1  0.574238  0.207204  0.584138  1
  Ta  Ta165  1  0.585912  0.612214  0.583795  1
  Ta  Ta166  1  0.942387  0.628237  0.545970  1
  Ta  Ta167  1  0.304207  0.303280  0.553022  1
  Ta  Ta168  1  0.657534  0.975820  0.551175  1
  Ta  Ta169  1  0.033124  0.011096  0.526247  1
  Ta  Ta170  1  0.947433  0.265309  0.566559  1
  Ta  Ta171  1  0.251755  0.912648  0.560685  1
  Ta  Ta172  1  0.424844  0.771112  0.576313  1
  Ta  Ta173  1  0.728697  0.432236  0.575110  1
  Ta  Ta174  1  0.812504  0.809656  0.554707  1
  Ta  Ta175  1  0.028871  0.711791  0.587912  1
  Ta  Ta176  1  0.381940  0.388396  0.599136  1
  Ta  Ta177  1  0.746956  0.063128  0.595067  1
  Ta  Ta178  1  0.118517  0.096364  0.567146  1
  Ta  Ta179  1  0.112791  0.485095  0.560695  1
  Ta  Ta180  1  0.484688  0.120182  0.539597  1
  Ta  Ta181  1  0.094357  0.636653  0.654520  1
  Ta  Ta182  1  0.483984  0.284032  0.641897  1
  Ta  Ta183  1  0.483959  0.676222  0.640869  1
  Ta  Ta184  1  0.842066  0.701810  0.603762  1
  Ta  Ta185  1  0.205093  0.373674  0.606191  1
  Ta  Ta186  1  0.543629  0.020946  0.597626  1
  Ta  Ta187  1  0.798069  0.972587  0.653449  1
  Ta  Ta188  1  0.845558  0.322445  0.618280  1
  Ta  Ta189  1  0.150451  0.987209  0.615925  1
  Ta  Ta190  1  0.287417  0.465444  0.651555  1
  Ta  Ta191  1  0.626588  0.109190  0.640417  1
  Ta  Ta192  1  0.634952  0.499182  0.631701  1
  Ta  Ta193  1  0.005287  0.545889  0.610867  1
  Ta  Ta194  1  0.393181  0.190757  0.595718  1
  Ta  Ta195  1  0.714360  0.886114  0.612067  1
  Ta  Ta196  1  0.929513  0.788640  0.645083  1
  Ta  Ta197  1  0.021132  0.171394  0.625880  1
  Ta  Ta198  1  0.313807  0.822005  0.623642  1
  Ta  Ta199  1  0.106920  0.446324  0.657571  1
  Ta  Ta200  1  0.427804  0.082734  0.646398  1
  Ta  Ta201  1  0.464161  0.481323  0.643384  1
  Ta  Ta202  1  0.812431  0.518607  0.617363  1
  Ta  Ta203  1  0.211266  0.179890  0.607465  1
  Ta  Ta204  1  0.510645  0.855146  0.618124  1
  Ta  Ta205  1  0.896626  0.892124  0.595242  1
  Ta  Ta206  1  0.833116  0.153334  0.639593  1
  Ta  Ta207  1  0.113111  0.799687  0.630058  1
  Ta  Ta208  1  0.284289  0.658662  0.646471  1
  Ta  Ta209  1  0.660476  0.297471  0.628295  1
  Ta  Ta210  1  0.669164  0.698255  0.624316  1
  Ta  Ta211  1  0.902864  0.609853  0.660940  1
  Ta  Ta212  1  0.302691  0.269096  0.651536  1
  Ta  Ta213  1  0.598275  0.941427  0.660519  1
  Ta  Ta214  1  0.976814  0.981471  0.635746  1
  Ta  Ta215  1  0.027002  0.353561  0.609415  1
  Ta  Ta216  1  0.339315  0.996049  0.602985  1
  Ta  Ta217  1  0.010175  0.521202  0.704901  1
  Ta  Ta218  1  0.323540  0.157067  0.696997  1
  Ta  Ta219  1  0.380211  0.558945  0.691980  1
  Ta  Ta220  1  0.729180  0.588948  0.669618  1
  Ta  Ta221  1  0.117252  0.255305  0.661720  1
  Ta  Ta222  1  0.402139  0.910225  0.665106  1
  Ta  Ta223  1  0.656653  0.854242  0.715585  1
  Ta  Ta224  1  0.702363  0.200574  0.680576  1
  Ta  Ta225  1  0.015527  0.876812  0.682976  1
  Ta  Ta226  1  0.199637  0.347137  0.701980  1
  Ta  Ta227  1  0.481256  0.995521  0.704480  1
  Ta  Ta228  1  0.561910  0.375231  0.683893  1
  Ta  Ta229  1  0.931128  0.414022  0.659291  1
  Ta  Ta230  1  0.239122  0.070681  0.657446  1
  Ta  Ta231  1  0.579778  0.763586  0.677592  1
  Ta  Ta232  1  0.807507  0.676206  0.710969  1
  Ta  Ta233  1  0.876349  0.057060  0.692245  1
  Ta  Ta234  1  0.183837  0.727295  0.692730  1
  Ta  Ta235  1  0.017761  0.338403  0.708554  1
  Ta  Ta236  1  0.281949  0.972166  0.708148  1
  Ta  Ta237  1  0.380979  0.359527  0.693723  1
  Ta  Ta238  1  0.746452  0.383472  0.670053  1
  Ta  Ta239  1  0.059942  0.065903  0.675725  1
  Ta  Ta240  1  0.369776  0.751170  0.686039  1
  Ta  Ta241  1  0.758524  0.786800  0.665349  1
  Ta  Ta242  1  0.679586  0.027138  0.698890  1
  Ta  Ta243  1  0.988784  0.707198  0.699630  1
  Ta  Ta244  1  0.195518  0.540190  0.699450  1
  Ta  Ta245  1  0.509724  0.172912  0.687659  1
  Ta  Ta246  1  0.564221  0.574565  0.688583  1
  Ta  Ta247  1  0.836874  0.470900  0.707439  1
  Ta  Ta248  1  0.141498  0.159806  0.710582  1
  Ta  Ta249  1  0.470121  0.822124  0.721647  1
  Ta  Ta250  1  0.839072  0.871034  0.703398  1
  Ta  Ta251  1  0.916124  0.240676  0.680877  1
  Ta  Ta252  1  0.197141  0.891668  0.668241  1
