# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.03795903
_cell_length_b   25.40817951
_cell_length_c   46.18313023
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11778.8348732
_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  0.972716  0.696766  0.356404  1
  Ta  Ta2  1  0.978029  0.145372  0.318951  1
  Ta  Ta3  1  0.264256  0.939286  0.324651  1
  Ta  Ta4  1  0.232247  0.409649  0.285035  1
  Ta  Ta5  1  0.325766  0.826307  0.334756  1
  Ta  Ta6  1  0.318300  0.270611  0.291967  1
  Ta  Ta7  1  0.138381  0.662763  0.302775  1
  Ta  Ta8  1  0.133422  0.233941  0.342788  1
  Ta  Ta9  1  0.869810  0.682471  0.294586  1
  Ta  Ta10  1  0.867983  0.251633  0.334322  1
  Ta  Ta11  1  0.914346  0.491654  0.308715  1
  Ta  Ta12  1  0.901032  0.054491  0.345826  1
  Ta  Ta13  1  0.828238  0.865102  0.316858  1
  Ta  Ta14  1  0.774589  0.292832  0.280286  1
  Ta  Ta15  1  0.190948  0.606976  0.358007  1
  Ta  Ta16  1  0.184079  0.044920  0.314104  1
  Ta  Ta17  1  0.744551  0.541151  0.352818  1
  Ta  Ta18  1  0.741667  0.979823  0.305230  1
  Ta  Ta19  1  0.943299  0.597428  0.324875  1
  Ta  Ta20  1  0.951753  0.068631  0.283051  1
  Ta  Ta21  1  0.405218  0.637286  0.308914  1
  Ta  Ta22  1  0.397697  0.210160  0.351202  1
  Ta  Ta23  1  0.505906  0.737961  0.337391  1
  Ta  Ta24  1  0.521360  0.190903  0.293354  1
  Ta  Ta25  1  0.541861  0.918318  0.332712  1
  Ta  Ta26  1  0.526095  0.372129  0.292373  1
  Ta  Ta27  1  0.584274  0.816712  0.300512  1
  Ta  Ta28  1  0.571732  0.384728  0.351532  1
  Ta  Ta29  1  0.045004  0.775007  0.320804  1
  Ta  Ta30  1  0.035883  0.226962  0.282113  1
  Ta  Ta31  1  0.609577  0.705398  0.285753  1
  Ta  Ta32  1  0.598697  0.275758  0.326439  1
  Ta  Ta33  1  0.323738  0.757229  0.290771  1
  Ta  Ta34  1  0.314588  0.334008  0.336243  1
  Ta  Ta35  1  0.687342  0.647671  0.340301  1
  Ta  Ta36  1  0.688861  0.084438  0.297666  1
  Ta  Ta37  1  1.002995  0.961266  0.311615  1
  Ta  Ta38  1  0.916790  0.403803  0.276331  1
  Ta  Ta39  1  0.851641  0.786241  0.276218  1
  Ta  Ta40  1  0.808486  0.365488  0.322478  1
  Ta  Ta41  1  0.680213  0.579891  0.295881  1
  Ta  Ta42  1  0.685280  0.153853  0.340396  1
  Ta  Ta43  1  0.441569  0.510015  0.285283  1
  Ta  Ta44  1  0.440004  0.101454  0.326249  1
  Ta  Ta45  1  0.197902  0.534289  0.312713  1
  Ta  Ta46  1  0.188785  0.112305  0.357876  1
  Ta  Ta47  1  0.769180  0.757955  0.330620  1
  Ta  Ta48  1  0.784905  0.183923  0.285377  1
  Ta  Ta49  1  0.387680  0.883249  0.283316  1
  Ta  Ta50  1  0.380659  0.446789  0.329298  1
  Ta  Ta51  1  0.069772  0.877535  0.348793  1
  Ta  Ta52  1  0.059753  0.325246  0.304728  1
  Ta  Ta53  1  0.654834  0.464355  0.314165  1
  Ta  Ta54  1  0.633571  0.033348  0.354573  1
  Ta  Ta55  1  0.472656  0.556305  0.342878  1
  Ta  Ta56  1  0.462731  1.003355  0.301194  1
  Ta  Ta57  1  0.246998  0.717387  0.347268  1
  Ta  Ta58  1  0.235180  0.156120  0.299788  1
  Ta  Ta59  1  0.114207  0.858396  0.289628  1
  Ta  Ta60  1  0.098232  0.426323  0.334633  1
  Ta  Ta61  1  0.970031  0.827232  0.446589  1
  Ta  Ta62  1  0.968545  0.264921  0.404006  1
  Ta  Ta63  1  0.266225  0.065574  0.414813  1
  Ta  Ta64  1  0.267841  0.502634  0.373169  1
  Ta  Ta65  1  0.322210  0.955520  0.426084  1
  Ta  Ta66  1  0.320486  0.391386  0.385003  1
  Ta  Ta67  1  0.136129  0.792034  0.387929  1
  Ta  Ta68  1  0.133731  0.356843  0.436911  1
  Ta  Ta69  1  0.877210  0.813689  0.378284  1
  Ta  Ta70  1  0.874319  0.378490  0.427474  1
  Ta  Ta71  1  0.902786  0.616275  0.393427  1
  Ta  Ta72  1  0.899949  0.181374  0.439251  1
  Ta  Ta73  1  0.821977  0.997074  0.407300  1
  Ta  Ta74  1  0.824817  0.433103  0.365868  1
  Ta  Ta75  1  0.187903  0.736914  0.450164  1
  Ta  Ta76  1  0.186610  0.174537  0.404955  1
  Ta  Ta77  1  0.743403  0.669387  0.444169  1
  Ta  Ta78  1  0.740807  0.106089  0.397036  1
  Ta  Ta79  1  0.940132  0.729365  0.416598  1
  Ta  Ta80  1  0.935901  0.171072  0.373726  1
  Ta  Ta81  1  0.402692  0.770242  0.397469  1
  Ta  Ta82  1  0.399984  0.335530  0.445973  1
  Ta  Ta83  1  0.505159  0.866957  0.428240  1
  Ta  Ta84  1  0.500309  0.303700  0.385461  1
  Ta  Ta85  1  0.538732  0.045754  0.423407  1
  Ta  Ta86  1  0.542748  0.482166  0.381936  1
  Ta  Ta87  1  0.570513  0.948341  0.391708  1
  Ta  Ta88  1  0.570880  0.512824  0.442125  1
  Ta  Ta89  1  0.040182  0.906787  0.410085  1
  Ta  Ta90  1  0.036181  0.343115  0.367889  1
  Ta  Ta91  1  0.610503  0.834769  0.368149  1
  Ta  Ta92  1  0.607590  0.399504  0.418415  1
  Ta  Ta93  1  0.322697  0.891357  0.380109  1
  Ta  Ta94  1  0.322448  0.455684  0.430319  1
  Ta  Ta95  1  0.687621  0.778426  0.431127  1
  Ta  Ta96  1  0.681855  0.215925  0.387113  1
  Ta  Ta97  1  1.004164  0.085709  0.405583  1
  Ta  Ta98  1  0.007267  0.521658  0.363187  1
  Ta  Ta99  1  0.822839  0.934042  0.360648  1
  Ta  Ta100  1  0.822601  0.497449  0.411416  1
  Ta  Ta101  1  0.688225  0.713401  0.386039  1
  Ta  Ta102  1  0.684818  0.279301  0.433736  1
  Ta  Ta103  1  0.440010  0.655577  0.373198  1
  Ta  Ta104  1  0.435696  0.222470  0.420464  1
  Ta  Ta105  1  0.188900  0.671811  0.404566  1
  Ta  Ta106  1  0.186617  0.237598  0.451515  1
  Ta  Ta107  1  0.767039  0.887623  0.418938  1
  Ta  Ta108  1  0.763858  0.322684  0.377717  1
  Ta  Ta109  1  0.374227  0.012702  0.364401  1
  Ta  Ta110  1  0.376433  0.574733  0.413277  1
  Ta  Ta111  1  0.070132  1.004098  0.441195  1
  Ta  Ta112  1  0.070890  0.441130  0.399836  1
  Ta  Ta113  1  0.635774  0.595416  0.403064  1
  Ta  Ta114  1  0.633031  0.160084  0.447855  1
  Ta  Ta115  1  0.470337  0.688207  0.434886  1
  Ta  Ta116  1  0.467606  0.126515  0.387885  1
  Ta  Ta117  1  0.243143  0.846421  0.437714  1
  Ta  Ta118  1  0.239463  0.283613  0.394025  1
  Ta  Ta119  1  0.107156  0.989886  0.373391  1
  Ta  Ta120  1  0.109085  0.553374  0.422979  1
  Ta  Ta121  1  0.969391  0.954575  0.537747  1
  Ta  Ta122  1  0.969509  0.391752  0.495872  1
  Ta  Ta123  1  0.266872  0.192676  0.507831  1
  Ta  Ta124  1  0.267408  0.628831  0.462963  1
  Ta  Ta125  1  0.322240  0.082958  0.518386  1
  Ta  Ta126  1  0.322647  0.519856  0.475769  1
  Ta  Ta127  1  0.134213  0.919956  0.478992  1
  Ta  Ta128  1  0.134389  0.484683  0.528749  1
  Ta  Ta129  1  0.874810  0.941345  0.469177  1
  Ta  Ta130  1  0.875015  0.506098  0.518948  1
  Ta  Ta131  1  0.901465  0.745108  0.484148  1
  Ta  Ta132  1  0.901343  0.309019  0.531808  1
  Ta  Ta133  1  0.821864  0.124526  0.500157  1
  Ta  Ta134  1  0.822792  0.561292  0.456690  1
  Ta  Ta135  1  0.186330  0.864844  0.541214  1
  Ta  Ta136  1  0.186993  0.301530  0.497991  1
  Ta  Ta137  1  0.742106  0.797056  0.534773  1
  Ta  Ta138  1  0.741890  0.233397  0.490407  1
  Ta  Ta139  1  0.938689  0.857274  0.507425  1
  Ta  Ta140  1  0.937739  0.294640  0.464366  1
  Ta  Ta141  1  0.401029  0.898386  0.488433  1
  Ta  Ta142  1  0.401235  0.463100  0.538236  1
  Ta  Ta143  1  0.504149  0.994286  0.519790  1
  Ta  Ta144  1  0.504688  0.431783  0.478136  1
  Ta  Ta145  1  0.539618  0.172965  0.516518  1
  Ta  Ta146  1  0.540228  0.609933  0.472083  1
  Ta  Ta147  1  0.570193  0.075752  0.484524  1
  Ta  Ta148  1  0.569999  0.640189  0.532980  1
  Ta  Ta149  1  0.039479  0.034370  0.502199  1
  Ta  Ta150  1  0.039783  0.471493  0.460185  1
  Ta  Ta151  1  0.607910  0.962917  0.459717  1
  Ta  Ta152  1  0.608134  0.527658  0.509442  1
  Ta  Ta153  1  0.321714  0.019076  0.472074  1
  Ta  Ta154  1  0.322108  0.583445  0.521188  1
  Ta  Ta155  1  0.686534  0.906124  0.521988  1
  Ta  Ta156  1  0.686434  0.343133  0.479773  1
  Ta  Ta157  1  0.004407  0.213050  0.499117  1
  Ta  Ta158  1  0.005505  0.649113  0.453524  1
  Ta  Ta159  1  0.821532  0.060879  0.453825  1
  Ta  Ta160  1  0.822294  0.625334  0.502189  1
  Ta  Ta161  1  0.687250  0.842537  0.476620  1
  Ta  Ta162  1  0.687250  0.407009  0.525980  1
  Ta  Ta163  1  0.439394  0.785801  0.464825  1
  Ta  Ta164  1  0.438656  0.350357  0.513549  1
  Ta  Ta165  1  0.187100  0.800719  0.495661  1
  Ta  Ta166  1  0.187424  0.365128  0.544280  1
  Ta  Ta167  1  0.766624  0.014790  0.510755  1
  Ta  Ta168  1  0.766880  0.452015  0.469007  1
  Ta  Ta169  1  0.373934  0.138324  0.457273  1
  Ta  Ta170  1  0.374973  0.702396  0.503868  1
  Ta  Ta171  1  0.071016  0.131456  0.533850  1
  Ta  Ta172  1  0.070718  0.568738  0.490415  1
  Ta  Ta173  1  0.634410  0.723568  0.493913  1
  Ta  Ta174  1  0.634859  0.287735  0.540898  1
  Ta  Ta175  1  0.469080  0.816026  0.525687  1
  Ta  Ta176  1  0.469047  0.253125  0.481652  1
  Ta  Ta177  1  0.241974  0.974187  0.529018  1
  Ta  Ta178  1  0.242356  0.411264  0.487203  1
  Ta  Ta179  1  0.107605  0.117037  0.466368  1
  Ta  Ta180  1  0.107992  0.680898  0.513664  1
  Ta  Ta181  1  0.973363  0.082701  0.630788  1
  Ta  Ta182  1  0.969182  0.519327  0.587813  1
  Ta  Ta183  1  0.268017  0.319831  0.601162  1
  Ta  Ta184  1  0.265981  0.756636  0.553628  1
  Ta  Ta185  1  0.326308  0.210000  0.611165  1
  Ta  Ta186  1  0.321780  0.647623  0.566681  1
  Ta  Ta187  1  0.134508  0.047827  0.570869  1
  Ta  Ta188  1  0.132341  0.612557  0.619555  1
  Ta  Ta189  1  0.875244  0.069262  0.561124  1
  Ta  Ta190  1  0.873443  0.634151  0.609916  1
  Ta  Ta191  1  0.900585  0.872597  0.574827  1
  Ta  Ta192  1  0.902149  0.436256  0.624591  1
  Ta  Ta193  1  0.822456  0.251369  0.593267  1
  Ta  Ta194  1  0.821617  0.689106  0.547664  1
  Ta  Ta195  1  0.183799  0.993752  0.632501  1
  Ta  Ta196  1  0.187195  0.428999  0.590713  1
  Ta  Ta197  1  0.742397  0.922427  0.623889  1
  Ta  Ta198  1  0.742834  0.360460  0.583290  1
  Ta  Ta199  1  0.938609  0.985070  0.598089  1
  Ta  Ta200  1  0.939031  0.421900  0.556853  1
  Ta  Ta201  1  0.400586  0.026734  0.579656  1
  Ta  Ta202  1  0.399036  0.591483  0.629672  1
  Ta  Ta203  1  0.507064  0.121991  0.612361  1
  Ta  Ta204  1  0.504203  0.559097  0.569612  1
  Ta  Ta205  1  0.541201  0.299525  0.610234  1
  Ta  Ta206  1  0.539109  0.737728  0.562872  1
  Ta  Ta207  1  0.572930  0.203551  0.577647  1
  Ta  Ta208  1  0.569931  0.770325  0.624497  1
  Ta  Ta209  1  0.040624  0.160976  0.594518  1
  Ta  Ta210  1  0.039382  0.598822  0.551253  1
  Ta  Ta211  1  0.608616  0.090503  0.552062  1
  Ta  Ta212  1  0.606860  0.655836  0.600352  1
  Ta  Ta213  1  0.323329  0.146653  0.564548  1
  Ta  Ta214  1  0.321202  0.712689  0.611778  1
  Ta  Ta215  1  0.687984  0.034534  0.612579  1
  Ta  Ta216  1  0.687047  0.470552  0.571898  1
  Ta  Ta217  1  0.004805  0.340232  0.592561  1
  Ta  Ta218  1  1.003978  0.776927  0.544308  1
  Ta  Ta219  1  0.822332  0.188398  0.546695  1
  Ta  Ta220  1  0.820956  0.754216  0.593259  1
  Ta  Ta221  1  0.686667  0.970309  0.567346  1
  Ta  Ta222  1  0.686830  0.534839  0.617779  1
  Ta  Ta223  1  0.438004  0.913177  0.555663  1
  Ta  Ta224  1  0.438866  0.477795  0.606227  1
  Ta  Ta225  1  0.186419  0.928943  0.586594  1
  Ta  Ta226  1  0.186708  0.492337  0.637212  1
  Ta  Ta227  1  0.769304  0.142190  0.604027  1
  Ta  Ta228  1  0.766227  0.579644  0.560153  1
  Ta  Ta229  1  0.375665  0.265986  0.550326  1
  Ta  Ta230  1  0.373562  0.830462  0.594613  1
  Ta  Ta231  1  0.072686  0.255168  0.624941  1
  Ta  Ta232  1  0.069408  0.696741  0.581248  1
  Ta  Ta233  1  0.632925  0.850904  0.584232  1
  Ta  Ta234  1  0.635185  0.413353  0.633619  1
  Ta  Ta235  1  0.466502  0.943644  0.615498  1
  Ta  Ta236  1  0.470220  0.380267  0.574669  1
  Ta  Ta237  1  0.242943  0.102906  0.621819  1
  Ta  Ta238  1  0.242333  0.538468  0.578928  1
  Ta  Ta239  1  0.108830  0.244541  0.559072  1
  Ta  Ta240  1  0.106614  0.809978  0.604499  1
  Ta  Ta241  1  0.974561  0.197119  0.715358  1
  Ta  Ta242  1  0.964728  0.651377  0.677051  1
  Ta  Ta243  1  0.269169  0.447613  0.692599  1
  Ta  Ta244  1  0.264160  0.884480  0.644476  1
  Ta  Ta245  1  0.322235  0.342818  0.700115  1
  Ta  Ta246  1  0.322121  0.778473  0.657516  1
  Ta  Ta247  1  0.141197  0.174028  0.664258  1
  Ta  Ta248  1  0.140211  0.744176  0.703124  1
  Ta  Ta249  1  0.876014  0.191575  0.655356  1
  Ta  Ta250  1  0.871982  0.763799  0.694972  1
  Ta  Ta251  1  0.903319  0.998597  0.662042  1
  Ta  Ta252  1  0.895318  0.568035  0.708237  1
  Ta  Ta253  1  0.825294  0.381200  0.684038  1
  Ta  Ta254  1  0.819793  0.819031  0.639834  1
  Ta  Ta255  1  0.246625  0.138872  0.716713  1
  Ta  Ta256  1  0.181271  0.561444  0.680963  1
  Ta  Ta257  1  0.757830  0.019340  0.711373  1
  Ta  Ta258  1  0.745601  0.487007  0.673243  1
  Ta  Ta259  1  0.950419  0.098933  0.693028  1
  Ta  Ta260  1  0.939695  0.548866  0.649040  1
  Ta  Ta261  1  0.411485  0.149252  0.670543  1
  Ta  Ta262  1  0.400217  0.720987  0.712057  1
  Ta  Ta263  1  0.483751  0.233835  0.704366  1
  Ta  Ta264  1  0.503758  0.688200  0.660447  1
  Ta  Ta265  1  0.547273  0.423022  0.696647  1
  Ta  Ta266  1  0.537709  0.868930  0.654339  1
  Ta  Ta267  1  0.569043  0.324312  0.671862  1
  Ta  Ta268  1  0.570972  0.915741  0.712350  1
  Ta  Ta269  1  0.028871  0.281664  0.679806  1
  Ta  Ta270  1  0.037084  0.729686  0.641534  1
  Ta  Ta271  1  0.611262  0.215747  0.646707  1
  Ta  Ta272  1  0.605035  0.788863  0.688880  1
  Ta  Ta273  1  0.322463  0.271998  0.657979  1
  Ta  Ta274  1  0.330125  0.846720  0.701742  1
  Ta  Ta275  1  0.689953  0.154492  0.705824  1
  Ta  Ta276  1  0.683895  0.599966  0.663110  1
  Ta  Ta277  1  0.006945  0.465423  0.686161  1
  Ta  Ta278  1  1.002652  0.905181  0.635074  1
  Ta  Ta279  1  0.819869  0.313658  0.640298  1
  Ta  Ta280  1  0.812620  0.892465  0.684846  1
  Ta  Ta281  1  0.694393  0.092327  0.661028  1
  Ta  Ta282  1  0.686019  0.669096  0.707078  1
  Ta  Ta283  1  0.434533  0.041610  0.646730  1
  Ta  Ta284  1  0.425203  0.609505  0.697351  1
  Ta  Ta285  1  0.195629  0.056229  0.679590  1
  Ta  Ta286  1  0.157829  0.640365  0.721617  1
  Ta  Ta287  1  0.771708  0.268286  0.698126  1
  Ta  Ta288  1  0.762755  0.708741  0.650599  1
  Ta  Ta289  1  0.375767  0.392849  0.643400  1
  Ta  Ta290  1  0.365030  0.958488  0.681475  1
  Ta  Ta291  1  0.061490  0.360834  0.714692  1
  Ta  Ta292  1  0.067093  0.830497  0.673699  1
  Ta  Ta293  1  0.627437  0.977974  0.667053  1
  Ta  Ta294  1  0.621704  0.542990  0.714547  1
  Ta  Ta295  1  0.487848  0.054998  0.704692  1
  Ta  Ta296  1  0.468283  0.508093  0.665091  1
  Ta  Ta297  1  0.221353  0.245721  0.713637  1
  Ta  Ta298  1  0.240508  0.668357  0.667213  1
  Ta  Ta299  1  0.108338  0.371759  0.652236  1
  Ta  Ta300  1  0.098789  0.938449  0.689413  1
