# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.47044323
_cell_length_b   11.35218081
_cell_length_c   50.42316601
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.68948803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11812.4649502
_cell_formula_units_Z   300
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  0.326615  0.404876  0.318171  1
  Ta  Ta2  1  0.853167  0.771438  0.278351  1
  Ta  Ta3  1  0.560644  0.722448  0.341173  1
  Ta  Ta4  1  0.063213  0.147416  0.295348  1
  Ta  Ta5  1  0.450887  0.371143  0.325695  1
  Ta  Ta6  1  0.979726  0.720144  0.283652  1
  Ta  Ta7  1  0.616971  0.251134  0.282358  1
  Ta  Ta8  1  0.097228  0.898970  0.321866  1
  Ta  Ta9  1  0.540975  0.937320  0.312393  1
  Ta  Ta10  1  0.016211  0.574073  0.359834  1
  Ta  Ta11  1  0.668278  0.084414  0.357017  1
  Ta  Ta12  1  0.196699  0.454505  0.311278  1
  Ta  Ta13  1  0.680929  0.573105  0.358243  1
  Ta  Ta14  1  0.203360  0.950163  0.312011  1
  Ta  Ta15  1  0.437908  0.869167  0.325386  1
  Ta  Ta16  1  0.932108  0.268283  0.283692  1
  Ta  Ta17  1  0.819529  0.574652  0.293715  1
  Ta  Ta18  1  0.276808  0.241083  0.339261  1
  Ta  Ta19  1  0.365831  0.588541  0.299883  1
  Ta  Ta20  1  0.841341  0.205594  0.343909  1
  Ta  Ta21  1  0.581089  0.306385  0.332314  1
  Ta  Ta22  1  0.105824  0.698651  0.292381  1
  Ta  Ta23  1  0.639270  0.021040  0.308123  1
  Ta  Ta24  1  0.120075  0.652195  0.349788  1
  Ta  Ta25  1  0.508262  0.185008  0.291245  1
  Ta  Ta26  1  0.999934  0.800296  0.332799  1
  Ta  Ta27  1  0.534993  0.138310  0.351055  1
  Ta  Ta28  1  0.065871  0.506171  0.309490  1
  Ta  Ta29  1  0.329278  0.801933  0.333630  1
  Ta  Ta30  1  0.846068  0.173776  0.292139  1
  Ta  Ta31  1  0.786746  0.641202  0.349422  1
  Ta  Ta32  1  0.313567  0.019739  0.308246  1
  Ta  Ta33  1  0.761177  0.420265  0.316958  1
  Ta  Ta34  1  0.232136  0.059758  0.360562  1
  Ta  Ta35  1  0.406381  0.767332  0.282350  1
  Ta  Ta36  1  0.886211  0.385113  0.327637  1
  Ta  Ta37  1  0.349667  0.576238  0.359457  1
  Ta  Ta38  1  0.876548  0.940600  0.316014  1
  Ta  Ta39  1  0.626875  0.476529  0.312446  1
  Ta  Ta40  1  0.102613  0.110106  0.354343  1
  Ta  Ta41  1  0.536845  0.712088  0.288120  1
  Ta  Ta42  1  0.014545  0.342404  0.330471  1
  Ta  Ta43  1  0.767560  0.860827  0.323412  1
  Ta  Ta44  1  0.300574  0.238091  0.284669  1
  Ta  Ta45  1  0.504790  0.468576  0.282783  1
  Ta  Ta46  1  0.972562  0.096565  0.327413  1
  Ta  Ta47  1  0.730274  0.165574  0.314217  1
  Ta  Ta48  1  0.204771  0.808537  0.360718  1
  Ta  Ta49  1  0.412733  0.135102  0.321767  1
  Ta  Ta50  1  0.961584  0.474286  0.282149  1
  Ta  Ta51  1  0.643241  0.851216  0.354180  1
  Ta  Ta52  1  0.170943  0.218342  0.309482  1
  Ta  Ta53  1  0.706209  0.301449  0.360940  1
  Ta  Ta54  1  0.233305  0.666929  0.316833  1
  Ta  Ta55  1  0.673877  0.709068  0.308523  1
  Ta  Ta56  1  0.143316  0.354604  0.354937  1
  Ta  Ta57  1  0.475203  0.594096  0.327589  1
  Ta  Ta58  1  0.987028  0.963451  0.283683  1
  Ta  Ta59  1  0.433893  0.995149  0.277267  1
  Ta  Ta60  1  0.913818  0.635346  0.321869  1
  Ta  Ta61  1  0.270211  0.666096  0.409752  1
  Ta  Ta62  1  0.795597  0.035139  0.362221  1
  Ta  Ta63  1  0.508064  0.978652  0.432866  1
  Ta  Ta64  1  0.034046  0.353725  0.387466  1
  Ta  Ta65  1  0.397670  0.618222  0.416247  1
  Ta  Ta66  1  0.923567  0.988382  0.370237  1
  Ta  Ta67  1  0.576963  0.503033  0.368183  1
  Ta  Ta68  1  0.051782  0.132674  0.414295  1
  Ta  Ta69  1  0.490025  0.198051  0.405897  1
  Ta  Ta70  1  0.964321  0.827455  0.452073  1
  Ta  Ta71  1  0.617415  0.340559  0.449837  1
  Ta  Ta72  1  0.142971  0.714759  0.403757  1
  Ta  Ta73  1  0.629021  0.831673  0.450753  1
  Ta  Ta74  1  0.154826  0.204873  0.404889  1
  Ta  Ta75  1  0.386780  0.126544  0.415154  1
  Ta  Ta76  1  0.912031  0.503607  0.370911  1
  Ta  Ta77  1  0.751005  0.865225  0.384115  1
  Ta  Ta78  1  0.225782  0.495429  0.430757  1
  Ta  Ta79  1  0.314021  0.837830  0.389205  1
  Ta  Ta80  1  0.789503  0.464077  0.435267  1
  Ta  Ta81  1  0.531245  0.562125  0.422765  1
  Ta  Ta82  1  0.056985  0.936735  0.376667  1
  Ta  Ta83  1  0.593145  0.275747  0.396201  1
  Ta  Ta84  1  0.067679  0.905691  0.442197  1
  Ta  Ta85  1  0.473024  0.426519  0.378551  1
  Ta  Ta86  1  0.948093  0.053730  0.424143  1
  Ta  Ta87  1  0.484432  0.395841  0.443296  1
  Ta  Ta88  1  0.010455  0.769518  0.397603  1
  Ta  Ta89  1  0.280195  0.057204  0.423654  1
  Ta  Ta90  1  0.805372  0.428051  0.378536  1
  Ta  Ta91  1  0.735040  0.902006  0.442109  1
  Ta  Ta92  1  0.260631  0.275615  0.396247  1
  Ta  Ta93  1  0.707371  0.686190  0.406876  1
  Ta  Ta94  1  0.181741  0.315980  0.453129  1
  Ta  Ta95  1  0.358654  0.016573  0.367656  1
  Ta  Ta96  1  0.833273  0.644683  0.413289  1
  Ta  Ta97  1  0.299195  0.832733  0.451211  1
  Ta  Ta98  1  0.824690  0.202634  0.405538  1
  Ta  Ta99  1  0.577737  0.734292  0.401144  1
  Ta  Ta100  1  0.051841  0.364152  0.447416  1
  Ta  Ta101  1  0.490068  0.965959  0.372891  1
  Ta  Ta102  1  0.964050  0.596717  0.419180  1
  Ta  Ta103  1  0.716153  0.125014  0.414313  1
  Ta  Ta104  1  0.242102  0.498881  0.368117  1
  Ta  Ta105  1  0.449985  0.719904  0.373360  1
  Ta  Ta106  1  0.924817  0.348281  0.419298  1
  Ta  Ta107  1  0.680905  0.430541  0.407502  1
  Ta  Ta108  1  0.155121  0.061011  0.453661  1
  Ta  Ta109  1  0.360339  0.398112  0.412220  1
  Ta  Ta110  1  0.885369  0.770664  0.366380  1
  Ta  Ta111  1  0.591260  0.109913  0.447189  1
  Ta  Ta112  1  0.117267  0.484016  0.401420  1
  Ta  Ta113  1  0.655100  0.560296  0.453629  1
  Ta  Ta114  1  0.180298  0.933821  0.407544  1
  Ta  Ta115  1  0.616856  0.980551  0.400878  1
  Ta  Ta116  1  0.091109  0.611477  0.447447  1
  Ta  Ta117  1  0.424504  0.847850  0.418745  1
  Ta  Ta118  1  0.951031  0.218132  0.373861  1
  Ta  Ta119  1  0.386208  0.271302  0.366393  1
  Ta  Ta120  1  0.859980  0.898524  0.412316  1
  Ta  Ta121  1  0.219336  0.921599  0.501868  1
  Ta  Ta122  1  0.744956  0.292829  0.455909  1
  Ta  Ta123  1  0.456633  0.234984  0.524589  1
  Ta  Ta124  1  0.982176  0.608022  0.479091  1
  Ta  Ta125  1  0.347011  0.873446  0.507791  1
  Ta  Ta126  1  0.872557  0.245268  0.462181  1
  Ta  Ta127  1  0.525873  0.759460  0.459957  1
  Ta  Ta128  1  1.000087  0.388380  0.506093  1
  Ta  Ta129  1  0.438673  0.454653  0.497616  1
  Ta  Ta130  1  0.912967  0.083462  0.543831  1
  Ta  Ta131  1  0.566339  0.597674  0.541508  1
  Ta  Ta132  1  0.091684  0.969746  0.495950  1
  Ta  Ta133  1  0.577784  0.087922  0.542530  1
  Ta  Ta134  1  0.103182  0.460955  0.496996  1
  Ta  Ta135  1  0.335542  0.382135  0.506718  1
  Ta  Ta136  1  0.861095  0.754957  0.461142  1
  Ta  Ta137  1  0.700392  0.121940  0.476702  1
  Ta  Ta138  1  0.174687  0.750715  0.522783  1
  Ta  Ta139  1  0.263975  0.092479  0.480959  1
  Ta  Ta140  1  0.738545  0.720797  0.527035  1
  Ta  Ta141  1  0.479973  0.818563  0.514361  1
  Ta  Ta142  1  0.005602  0.190977  0.468810  1
  Ta  Ta143  1  0.542041  0.532824  0.487886  1
  Ta  Ta144  1  0.016379  0.161432  0.534017  1
  Ta  Ta145  1  0.422386  0.681632  0.469757  1
  Ta  Ta146  1  0.896799  0.310082  0.515852  1
  Ta  Ta147  1  0.433185  0.652146  0.534865  1
  Ta  Ta148  1  0.958829  0.024502  0.489358  1
  Ta  Ta149  1  0.229233  0.312404  0.515475  1
  Ta  Ta150  1  0.754830  0.684446  0.469596  1
  Ta  Ta151  1  0.684099  0.158350  0.534126  1
  Ta  Ta152  1  0.209442  0.530765  0.488252  1
  Ta  Ta153  1  0.656287  0.942973  0.498952  1
  Ta  Ta154  1  0.130531  0.571262  0.545058  1
  Ta  Ta155  1  0.308158  0.271849  0.458694  1
  Ta  Ta156  1  0.782637  0.899798  0.504776  1
  Ta  Ta157  1  0.248193  0.088329  0.543119  1
  Ta  Ta158  1  0.773838  0.460468  0.497242  1
  Ta  Ta159  1  0.526218  0.991142  0.492959  1
  Ta  Ta160  1  1.000366  0.620032  0.539175  1
  Ta  Ta161  1  0.438395  0.222924  0.464583  1
  Ta  Ta162  1  0.912646  0.851783  0.510777  1
  Ta  Ta163  1  0.665067  0.382368  0.506493  1
  Ta  Ta164  1  0.190479  0.754883  0.460616  1
  Ta  Ta165  1  0.399011  0.976116  0.464473  1
  Ta  Ta166  1  0.873344  0.604791  0.510635  1
  Ta  Ta167  1  0.629657  0.688560  0.499513  1
  Ta  Ta168  1  0.104022  0.316685  0.545616  1
  Ta  Ta169  1  0.309240  0.653942  0.503981  1
  Ta  Ta170  1  0.834816  0.025853  0.458149  1
  Ta  Ta171  1  0.539988  0.366627  0.538896  1
  Ta  Ta172  1  0.065348  0.739471  0.493507  1
  Ta  Ta173  1  0.604074  0.816998  0.545560  1
  Ta  Ta174  1  0.129443  0.189242  0.499751  1
  Ta  Ta175  1  0.565542  0.238042  0.493086  1
  Ta  Ta176  1  0.039725  0.866934  0.539294  1
  Ta  Ta177  1  0.373377  0.103647  0.510212  1
  Ta  Ta178  1  0.898899  0.476322  0.464766  1
  Ta  Ta179  1  0.334678  0.526409  0.458151  1
  Ta  Ta180  1  0.809255  0.154279  0.504228  1
  Ta  Ta181  1  0.168540  0.176995  0.594046  1
  Ta  Ta182  1  0.693950  0.549977  0.547838  1
  Ta  Ta183  1  0.404811  0.489440  0.615933  1
  Ta  Ta184  1  0.930752  0.864222  0.570933  1
  Ta  Ta185  1  0.295817  0.128444  0.599953  1
  Ta  Ta186  1  0.821472  0.502200  0.553934  1
  Ta  Ta187  1  0.474513  0.015610  0.551606  1
  Ta  Ta188  1  0.948806  0.644741  0.597922  1
  Ta  Ta189  1  0.386877  0.710905  0.589275  1
  Ta  Ta190  1  0.861613  0.339785  0.635666  1
  Ta  Ta191  1  0.515341  0.855040  0.633450  1
  Ta  Ta192  1  0.041086  0.224790  0.587595  1
  Ta  Ta193  1  0.526863  0.338904  0.632428  1
  Ta  Ta194  1  0.051993  0.716360  0.588658  1
  Ta  Ta195  1  0.283843  0.638484  0.598733  1
  Ta  Ta196  1  0.809858  0.011168  0.553005  1
  Ta  Ta197  1  0.649373  0.378795  0.568462  1
  Ta  Ta198  1  0.124731  0.005207  0.614626  1
  Ta  Ta199  1  0.212903  0.347697  0.572983  1
  Ta  Ta200  1  0.687686  0.977478  0.619579  1
  Ta  Ta201  1  0.428430  0.073807  0.606062  1
  Ta  Ta202  1  0.954391  0.447024  0.560499  1
  Ta  Ta203  1  0.490742  0.789467  0.579509  1
  Ta  Ta204  1  0.965810  0.416326  0.625359  1
  Ta  Ta205  1  0.371079  0.937643  0.561490  1
  Ta  Ta206  1  0.845714  0.566844  0.607601  1
  Ta  Ta207  1  0.381835  0.907158  0.627015  1
  Ta  Ta208  1  0.907548  0.280765  0.581063  1
  Ta  Ta209  1  0.178156  0.567383  0.607525  1
  Ta  Ta210  1  0.703866  0.940735  0.561604  1
  Ta  Ta211  1  0.633394  0.414997  0.625227  1
  Ta  Ta212  1  0.158461  0.785940  0.580113  1
  Ta  Ta213  1  0.605685  0.198012  0.590324  1
  Ta  Ta214  1  0.080175  0.826170  0.636197  1
  Ta  Ta215  1  0.256934  0.527179  0.550574  1
  Ta  Ta216  1  0.731450  0.156727  0.596908  1
  Ta  Ta217  1  0.196989  0.343847  0.635682  1
  Ta  Ta218  1  0.722730  0.717600  0.589416  1
  Ta  Ta219  1  0.474830  0.246288  0.584381  1
  Ta  Ta220  1  0.948718  0.876859  0.630942  1
  Ta  Ta221  1  0.386876  0.479042  0.556202  1
  Ta  Ta222  1  0.860999  0.108659  0.602691  1
  Ta  Ta223  1  0.614136  0.640196  0.598185  1
  Ta  Ta224  1  0.139503  0.010415  0.552561  1
  Ta  Ta225  1  0.347611  0.231663  0.556223  1
  Ta  Ta226  1  0.821995  0.862289  0.602886  1
  Ta  Ta227  1  0.578881  0.944338  0.591366  1
  Ta  Ta228  1  0.052809  0.571370  0.637458  1
  Ta  Ta229  1  0.258409  0.909504  0.596178  1
  Ta  Ta230  1  0.783782  0.282523  0.550145  1
  Ta  Ta231  1  0.487771  0.625509  0.629678  1
  Ta  Ta232  1  0.014254  0.995119  0.585070  1
  Ta  Ta233  1  0.553587  0.072200  0.637358  1
  Ta  Ta234  1  0.078452  0.444820  0.591592  1
  Ta  Ta235  1  0.514053  0.494987  0.584288  1
  Ta  Ta236  1  0.988757  0.122994  0.630489  1
  Ta  Ta237  1  0.321484  0.359113  0.602202  1
  Ta  Ta238  1  0.847636  0.732852  0.556565  1
  Ta  Ta239  1  0.283518  0.782326  0.550045  1
  Ta  Ta240  1  0.757888  0.412168  0.596313  1
  Ta  Ta241  1  0.113389  0.436557  0.685512  1
  Ta  Ta242  1  0.643352  0.806700  0.641470  1
  Ta  Ta243  1  0.376870  0.698519  0.708046  1
  Ta  Ta244  1  0.877829  0.120505  0.662638  1
  Ta  Ta245  1  0.243451  0.386968  0.692530  1
  Ta  Ta246  1  0.770592  0.758159  0.646612  1
  Ta  Ta247  1  0.423032  0.269035  0.643605  1
  Ta  Ta248  1  0.897388  0.905801  0.691370  1
  Ta  Ta249  1  0.341281  0.946063  0.681884  1
  Ta  Ta250  1  0.820742  0.592160  0.721459  1
  Ta  Ta251  1  0.471019  0.122331  0.719978  1
  Ta  Ta252  1  0.988357  0.472068  0.678289  1
  Ta  Ta253  1  0.510625  0.576295  0.718795  1
  Ta  Ta254  1  1.000689  0.973583  0.678397  1
  Ta  Ta255  1  0.235778  0.891116  0.691452  1
  Ta  Ta256  1  0.757380  0.270292  0.645806  1
  Ta  Ta257  1  0.596988  0.636866  0.660189  1
  Ta  Ta258  1  0.073274  0.254056  0.703919  1
  Ta  Ta259  1  0.162688  0.601320  0.664599  1
  Ta  Ta260  1  0.614254  0.261209  0.710168  1
  Ta  Ta261  1  0.374436  0.334147  0.693730  1
  Ta  Ta262  1  0.903812  0.704394  0.652741  1
  Ta  Ta263  1  0.439501  0.044723  0.671202  1
  Ta  Ta264  1  0.929033  0.659124  0.712540  1
  Ta  Ta265  1  0.319165  0.190597  0.653870  1
  Ta  Ta266  1  0.798874  0.822325  0.695527  1
  Ta  Ta267  1  0.338871  0.143011  0.711685  1
  Ta  Ta268  1  0.857702  0.536242  0.671545  1
  Ta  Ta269  1  0.125344  0.822920  0.695523  1
  Ta  Ta270  1  0.651668  0.202075  0.654214  1
  Ta  Ta271  1  0.594302  0.675415  0.711583  1
  Ta  Ta272  1  0.109602  0.040900  0.670214  1
  Ta  Ta273  1  0.552628  0.455296  0.675520  1
  Ta  Ta274  1  0.031783  0.076190  0.721378  1
  Ta  Ta275  1  0.206696  0.783078  0.643171  1
  Ta  Ta276  1  0.675509  0.422420  0.687729  1
  Ta  Ta277  1  0.139356  0.603956  0.719062  1
  Ta  Ta278  1  0.671125  0.981238  0.679370  1
  Ta  Ta279  1  0.423546  0.503556  0.672187  1
  Ta  Ta280  1  0.901305  0.130943  0.715632  1
  Ta  Ta281  1  0.336089  0.734118  0.649152  1
  Ta  Ta282  1  0.811075  0.366618  0.691351  1
  Ta  Ta283  1  0.562743  0.902752  0.686410  1
  Ta  Ta284  1  0.089331  0.266577  0.644421  1
  Ta  Ta285  1  0.295571  0.488430  0.648640  1
  Ta  Ta286  1  0.763452  0.134015  0.695240  1
  Ta  Ta287  1  0.524896  0.210597  0.681547  1
  Ta  Ta288  1  0.004808  0.847524  0.726480  1
  Ta  Ta289  1  0.206801  0.175101  0.687160  1
  Ta  Ta290  1  0.732304  0.540744  0.642934  1
  Ta  Ta291  1  0.453160  0.881198  0.719644  1
  Ta  Ta292  1  0.963507  0.249023  0.676235  1
  Ta  Ta293  1  0.468059  0.389651  0.719956  1
  Ta  Ta294  1  0.026230  0.707187  0.682115  1
  Ta  Ta295  1  0.466459  0.748903  0.675936  1
  Ta  Ta296  1  0.933397  0.374862  0.720972  1
  Ta  Ta297  1  0.269754  0.622768  0.694344  1
  Ta  Ta298  1  0.795216  0.991898  0.649577  1
  Ta  Ta299  1  0.233986  0.034774  0.643031  1
  Ta  Ta300  1  0.708656  0.677822  0.689259  1
