# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.57374520
_cell_length_b   11.38156685
_cell_length_c   50.44114624
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.66132800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11899.2083368
_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  0.297017  0.522156  0.361542  1
  Ta  Ta2  1  0.824706  0.897463  0.316225  1
  Ta  Ta3  1  0.568907  0.626211  0.292222  1
  Ta  Ta4  1  0.062716  0.210579  0.339341  1
  Ta  Ta5  1  0.341331  0.693235  0.342298  1
  Ta  Ta6  1  0.866639  0.074286  0.296000  1
  Ta  Ta7  1  0.440523  0.749408  0.278830  1
  Ta  Ta8  1  0.940595  0.357451  0.323164  1
  Ta  Ta9  1  0.704489  0.440355  0.309398  1
  Ta  Ta10  1  0.182067  0.062236  0.356830  1
  Ta  Ta11  1  0.777900  0.730375  0.337446  1
  Ta  Ta12  1  0.322893  0.072610  0.290141  1
  Ta  Ta13  1  0.517265  0.060055  0.358978  1
  Ta  Ta14  1  0.044998  0.426045  0.310524  1
  Ta  Ta15  1  0.600298  0.382840  0.319580  1
  Ta  Ta16  1  0.125436  0.743081  0.276951  1
  Ta  Ta17  1  0.695984  0.945474  0.308529  1
  Ta  Ta18  1  0.170761  0.570735  0.355768  1
  Ta  Ta19  1  0.468504  0.215979  0.279097  1
  Ta  Ta20  1  0.949947  0.856544  0.323302  1
  Ta  Ta21  1  0.388361  0.872377  0.323491  1
  Ta  Ta22  1  0.908133  0.254642  0.279461  1
  Ta  Ta23  1  0.815502  0.508244  0.305980  1
  Ta  Ta24  1  0.288963  0.128278  0.347503  1
  Ta  Ta25  1  0.350591  0.668045  0.289492  1
  Ta  Ta26  1  0.831576  0.288935  0.331544  1
  Ta  Ta27  1  0.733867  0.546764  0.358610  1
  Ta  Ta28  1  0.261094  0.913065  0.315498  1
  Ta  Ta29  1  0.499956  0.287137  0.330553  1
  Ta  Ta30  1  0.015335  0.672785  0.288100  1
  Ta  Ta31  1  0.620763  0.140332  0.348115  1
  Ta  Ta32  1  0.143474  0.510707  0.305636  1
  Ta  Ta33  1  0.564397  1.002854  0.307883  1
  Ta  Ta34  1  0.036814  0.626107  0.349425  1
  Ta  Ta35  1  0.602455  0.190679  0.288285  1
  Ta  Ta36  1  0.083492  0.792564  0.329062  1
  Ta  Ta37  1  0.377585  0.432505  0.314574  1
  Ta  Ta38  1  0.851129  0.063680  0.357256  1
  Ta  Ta39  1  0.517113  0.826200  0.328397  1
  Ta  Ta40  1  0.040032  0.200992  0.284985  1
  Ta  Ta41  1  0.604447  0.596925  0.352449  1
  Ta  Ta42  1  0.128776  0.964937  0.310199  1
  Ta  Ta43  1  0.800479  0.726151  0.281509  1
  Ta  Ta44  1  0.270150  0.348560  0.322362  1
  Ta  Ta45  1  0.489159  0.452677  0.280871  1
  Ta  Ta46  1  0.976533  0.079116  0.325357  1
  Ta  Ta47  1  0.414693  0.124343  0.319093  1
  Ta  Ta48  1  0.936408  0.487066  0.274161  1
  Ta  Ta49  1  0.733297  0.157903  0.314517  1
  Ta  Ta50  1  0.207332  0.789177  0.359230  1
  Ta  Ta51  1  0.644900  0.841988  0.352972  1
  Ta  Ta52  1  0.177106  0.198408  0.305880  1
  Ta  Ta53  1  0.470492  0.948768  0.279699  1
  Ta  Ta54  1  0.915191  0.622894  0.319815  1
  Ta  Ta55  1  0.670949  0.709199  0.307113  1
  Ta  Ta56  1  0.145403  0.338473  0.352479  1
  Ta  Ta57  1  0.474950  0.582255  0.325297  1
  Ta  Ta58  1  0.008239  0.956841  0.280043  1
  Ta  Ta59  1  0.706569  0.295374  0.358581  1
  Ta  Ta60  1  0.233416  0.653668  0.311987  1
  Ta  Ta61  1  0.246741  0.777865  0.453629  1
  Ta  Ta62  1  0.772036  0.152090  0.407415  1
  Ta  Ta63  1  0.535735  0.838861  0.385649  1
  Ta  Ta64  1  0.009890  0.464421  0.430641  1
  Ta  Ta65  1  0.291048  0.948724  0.433041  1
  Ta  Ta66  1  0.815955  0.323464  0.387199  1
  Ta  Ta67  1  0.414205  0.986675  0.368455  1
  Ta  Ta68  1  0.889115  0.611791  0.412949  1
  Ta  Ta69  1  0.656416  0.691346  0.402553  1
  Ta  Ta70  1  0.130483  0.317882  0.448468  1
  Ta  Ta71  1  0.728158  0.981381  0.428466  1
  Ta  Ta72  1  0.253458  0.350565  0.382567  1
  Ta  Ta73  1  0.466473  0.311587  0.449793  1
  Ta  Ta74  1  0.992010  0.683779  0.403823  1
  Ta  Ta75  1  0.553606  0.618134  0.411901  1
  Ta  Ta76  1  0.078276  0.990680  0.366236  1
  Ta  Ta77  1  0.645165  0.201003  0.401597  1
  Ta  Ta78  1  0.119546  0.826282  0.447549  1
  Ta  Ta79  1  0.424832  0.475018  0.368641  1
  Ta  Ta80  1  0.899297  0.103334  0.413875  1
  Ta  Ta81  1  0.335383  0.129196  0.410996  1
  Ta  Ta82  1  0.860668  0.503579  0.365620  1
  Ta  Ta83  1  0.762379  0.762077  0.394185  1
  Ta  Ta84  1  0.236840  0.387339  0.439944  1
  Ta  Ta85  1  0.307420  0.913916  0.376441  1
  Ta  Ta86  1  0.782289  0.542557  0.421422  1
  Ta  Ta87  1  0.683807  0.800879  0.450740  1
  Ta  Ta88  1  0.209087  0.172003  0.404868  1
  Ta  Ta89  1  0.449988  0.539167  0.421917  1
  Ta  Ta90  1  0.974930  0.912701  0.376153  1
  Ta  Ta91  1  0.569769  0.390497  0.439867  1
  Ta  Ta92  1  0.094928  0.761924  0.394002  1
  Ta  Ta93  1  0.512035  0.255403  0.395570  1
  Ta  Ta94  1  0.986281  0.881163  0.441029  1
  Ta  Ta95  1  0.558593  0.422698  0.374459  1
  Ta  Ta96  1  0.032996  0.048008  0.420516  1
  Ta  Ta97  1  0.326262  0.688514  0.403479  1
  Ta  Ta98  1  0.801149  0.317409  0.448853  1
  Ta  Ta99  1  0.466035  0.081272  0.417072  1
  Ta  Ta100  1  0.992300  0.452459  0.370805  1
  Ta  Ta101  1  0.553834  0.849244  0.445023  1
  Ta  Ta102  1  0.079271  0.221169  0.399042  1
  Ta  Ta103  1  0.743199  0.986614  0.366081  1
  Ta  Ta104  1  0.217963  0.611200  0.412371  1
  Ta  Ta105  1  0.452345  0.703941  0.371500  1
  Ta  Ta106  1  0.926359  0.333047  0.416326  1
  Ta  Ta107  1  0.362109  0.383134  0.410314  1
  Ta  Ta108  1  0.887636  0.758331  0.364387  1
  Ta  Ta109  1  0.682117  0.420255  0.405360  1
  Ta  Ta110  1  0.156660  0.046251  0.451425  1
  Ta  Ta111  1  0.593426  0.096399  0.445059  1
  Ta  Ta112  1  0.118809  0.466862  0.398841  1
  Ta  Ta113  1  0.387592  0.254956  0.364276  1
  Ta  Ta114  1  0.862434  0.883486  0.409919  1
  Ta  Ta115  1  0.619096  0.970371  0.399415  1
  Ta  Ta116  1  0.093085  0.596063  0.445120  1
  Ta  Ta117  1  0.426405  0.833416  0.416966  1
  Ta  Ta118  1  0.951842  0.206452  0.371090  1
  Ta  Ta119  1  0.657167  0.546108  0.451138  1
  Ta  Ta120  1  0.182358  0.917117  0.405334  1
  Ta  Ta121  1  0.196036  0.033149  0.545125  1
  Ta  Ta122  1  0.721708  0.405570  0.499296  1
  Ta  Ta123  1  0.484353  0.092211  0.476606  1
  Ta  Ta124  1  0.958781  0.719085  0.522202  1
  Ta  Ta125  1  0.240285  0.203800  0.524349  1
  Ta  Ta126  1  0.765939  0.576517  0.478517  1
  Ta  Ta127  1  0.363442  0.238478  0.458801  1
  Ta  Ta128  1  0.838158  0.865558  0.504354  1
  Ta  Ta129  1  0.605162  0.945746  0.494338  1
  Ta  Ta130  1  0.079488  0.572712  0.540042  1
  Ta  Ta131  1  0.677448  0.234702  0.520066  1
  Ta  Ta132  1  0.202519  0.607228  0.474368  1
  Ta  Ta133  1  0.415473  0.565800  0.541039  1
  Ta  Ta134  1  0.941023  0.938429  0.495382  1
  Ta  Ta135  1  0.502172  0.872764  0.503356  1
  Ta  Ta136  1  0.027497  0.245355  0.457556  1
  Ta  Ta137  1  0.594428  0.454088  0.493308  1
  Ta  Ta138  1  0.068737  0.081362  0.539079  1
  Ta  Ta139  1  0.374109  0.729605  0.459791  1
  Ta  Ta140  1  0.848918  0.357026  0.505297  1
  Ta  Ta141  1  0.284717  0.383615  0.502184  1
  Ta  Ta142  1  0.810335  0.756811  0.456339  1
  Ta  Ta143  1  0.711720  0.015213  0.485719  1
  Ta  Ta144  1  0.186027  0.642349  0.531524  1
  Ta  Ta145  1  0.256793  0.168762  0.467237  1
  Ta  Ta146  1  0.731678  0.796084  0.512906  1
  Ta  Ta147  1  0.633025  0.054573  0.542249  1
  Ta  Ta148  1  0.158102  0.427486  0.496536  1
  Ta  Ta149  1  0.398959  0.793860  0.513123  1
  Ta  Ta150  1  0.924414  0.166464  0.467339  1
  Ta  Ta151  1  0.518730  0.644687  0.531246  1
  Ta  Ta152  1  0.044015  0.017335  0.485600  1
  Ta  Ta153  1  0.461011  0.508486  0.486832  1
  Ta  Ta154  1  0.935434  0.135592  0.532537  1
  Ta  Ta155  1  0.507717  0.675488  0.466265  1
  Ta  Ta156  1  0.982102  0.302566  0.511886  1
  Ta  Ta157  1  0.275634  0.944255  0.494739  1
  Ta  Ta158  1  0.750527  0.571375  0.540422  1
  Ta  Ta159  1  0.414962  0.334955  0.508144  1
  Ta  Ta160  1  0.940563  0.707529  0.462327  1
  Ta  Ta161  1  0.502642  0.103672  0.536306  1
  Ta  Ta162  1  0.028013  0.476233  0.490542  1
  Ta  Ta163  1  0.692876  0.239925  0.458160  1
  Ta  Ta164  1  0.167169  0.866827  0.504022  1
  Ta  Ta165  1  0.400846  0.960142  0.462165  1
  Ta  Ta166  1  0.875523  0.587197  0.507654  1
  Ta  Ta167  1  0.311432  0.637931  0.501759  1
  Ta  Ta168  1  0.836953  0.011139  0.455890  1
  Ta  Ta169  1  0.631523  0.673980  0.497179  1
  Ta  Ta170  1  0.105843  0.301252  0.542967  1
  Ta  Ta171  1  0.542375  0.350252  0.536432  1
  Ta  Ta172  1  0.067664  0.722928  0.490745  1
  Ta  Ta173  1  0.337021  0.509720  0.455796  1
  Ta  Ta174  1  0.811839  0.137190  0.501450  1
  Ta  Ta175  1  0.567751  0.224039  0.491021  1
  Ta  Ta176  1  0.042086  0.851079  0.536735  1
  Ta  Ta177  1  0.375270  0.088257  0.507992  1
  Ta  Ta178  1  0.900839  0.460981  0.462150  1
  Ta  Ta179  1  0.606326  0.800280  0.542674  1
  Ta  Ta180  1  0.131395  0.173154  0.496962  1
  Ta  Ta181  1  0.145788  0.287984  0.637273  1
  Ta  Ta182  1  0.671075  0.659878  0.590955  1
  Ta  Ta183  1  0.433209  0.346611  0.567907  1
  Ta  Ta184  1  0.907442  0.973318  0.613930  1
  Ta  Ta185  1  0.189846  0.458715  0.615991  1
  Ta  Ta186  1  0.715233  0.830409  0.570116  1
  Ta  Ta187  1  0.312471  0.493028  0.550164  1
  Ta  Ta188  1  0.787029  0.119897  0.596249  1
  Ta  Ta189  1  0.554108  0.199501  0.585553  1
  Ta  Ta190  1  0.028607  0.825659  0.631212  1
  Ta  Ta191  1  0.627022  0.488346  0.611110  1
  Ta  Ta192  1  0.151804  0.862263  0.565817  1
  Ta  Ta193  1  0.364858  0.820541  0.632300  1
  Ta  Ta194  1  0.889840  0.192446  0.587012  1
  Ta  Ta195  1  0.451144  0.127285  0.594703  1
  Ta  Ta196  1  0.976575  0.499640  0.549005  1
  Ta  Ta197  1  0.543749  0.708328  0.584562  1
  Ta  Ta198  1  0.017994  0.334796  0.630427  1
  Ta  Ta199  1  0.323288  0.984811  0.551128  1
  Ta  Ta200  1  0.798056  0.610987  0.597004  1
  Ta  Ta201  1  0.233946  0.638424  0.593728  1
  Ta  Ta202  1  0.759614  0.010559  0.547933  1
  Ta  Ta203  1  0.661040  0.268779  0.577101  1
  Ta  Ta204  1  0.135430  0.896865  0.622609  1
  Ta  Ta205  1  0.206038  0.423516  0.558745  1
  Ta  Ta206  1  0.680962  0.049754  0.604404  1
  Ta  Ta207  1  0.582352  0.307968  0.632783  1
  Ta  Ta208  1  0.107440  0.681904  0.587970  1
  Ta  Ta209  1  0.348083  0.049064  0.604586  1
  Ta  Ta210  1  0.873522  0.420542  0.558829  1
  Ta  Ta211  1  0.468082  0.898711  0.622338  1
  Ta  Ta212  1  0.993090  0.271616  0.577014  1
  Ta  Ta213  1  0.409993  0.763206  0.578034  1
  Ta  Ta214  1  0.884481  0.388488  0.623991  1
  Ta  Ta215  1  0.456717  0.930155  0.557560  1
  Ta  Ta216  1  0.931176  0.556145  0.603288  1
  Ta  Ta217  1  0.224883  0.199438  0.586336  1
  Ta  Ta218  1  0.699784  0.826272  0.632392  1
  Ta  Ta219  1  0.363881  0.589613  0.599445  1
  Ta  Ta220  1  0.889530  0.961896  0.553924  1
  Ta  Ta221  1  0.450962  0.358228  0.627665  1
  Ta  Ta222  1  0.977017  0.730426  0.581996  1
  Ta  Ta223  1  0.642138  0.493915  0.549653  1
  Ta  Ta224  1  0.116584  0.122010  0.595449  1
  Ta  Ta225  1  0.349862  0.214960  0.553509  1
  Ta  Ta226  1  0.824355  0.841711  0.599441  1
  Ta  Ta227  1  0.260521  0.893858  0.593340  1
  Ta  Ta228  1  0.786286  0.264870  0.547512  1
  Ta  Ta229  1  0.580741  0.928186  0.588580  1
  Ta  Ta230  1  0.055374  0.555202  0.634355  1
  Ta  Ta231  1  0.491098  0.605097  0.627295  1
  Ta  Ta232  1  0.016615  0.977459  0.582177  1
  Ta  Ta233  1  0.286188  0.764810  0.547261  1
  Ta  Ta234  1  0.761078  0.391268  0.593139  1
  Ta  Ta235  1  0.516743  0.478232  0.582151  1
  Ta  Ta236  1  0.990768  0.105649  0.627991  1
  Ta  Ta237  1  0.324301  0.343478  0.599705  1
  Ta  Ta238  1  0.849915  0.715095  0.553708  1
  Ta  Ta239  1  0.555476  0.053307  0.634106  1
  Ta  Ta240  1  0.080808  0.427368  0.588490  1
  Ta  Ta241  1  0.095584  0.535807  0.724634  1
  Ta  Ta242  1  0.618038  0.915691  0.682445  1
  Ta  Ta243  1  0.381157  0.599751  0.659042  1
  Ta  Ta244  1  0.861454  0.216457  0.706193  1
  Ta  Ta245  1  0.133346  0.724682  0.707270  1
  Ta  Ta246  1  0.665195  0.081781  0.661073  1
  Ta  Ta247  1  0.261724  0.747534  0.641544  1
  Ta  Ta248  1  0.733915  0.381049  0.688727  1
  Ta  Ta249  1  0.502670  0.453546  0.675335  1
  Ta  Ta250  1  0.985014  0.072469  0.721243  1
  Ta  Ta251  1  0.577209  0.735945  0.702358  1
  Ta  Ta252  1  0.101633  0.116874  0.656680  1
  Ta  Ta253  1  0.318198  0.066674  0.721716  1
  Ta  Ta254  1  0.840517  0.435818  0.677616  1
  Ta  Ta255  1  0.399051  0.383513  0.687969  1
  Ta  Ta256  1  0.925760  0.752632  0.640308  1
  Ta  Ta257  1  0.493308  0.954356  0.675203  1
  Ta  Ta258  1  0.966872  0.592171  0.720388  1
  Ta  Ta259  1  0.272332  0.238746  0.642961  1
  Ta  Ta260  1  0.747300  0.868168  0.690065  1
  Ta  Ta261  1  0.184346  0.896362  0.682515  1
  Ta  Ta262  1  0.708922  0.265650  0.639858  1
  Ta  Ta263  1  0.610274  0.523949  0.666516  1
  Ta  Ta264  1  0.086785  0.134968  0.709955  1
  Ta  Ta265  1  0.155308  0.680176  0.650739  1
  Ta  Ta266  1  0.627156  0.303845  0.692436  1
  Ta  Ta267  1  0.536047  0.555781  0.719025  1
  Ta  Ta268  1  0.055666  0.935414  0.677188  1
  Ta  Ta269  1  0.300424  0.298402  0.693043  1
  Ta  Ta270  1  0.822196  0.674049  0.650438  1
  Ta  Ta271  1  0.428503  0.137264  0.710543  1
  Ta  Ta272  1  0.942597  0.523877  0.668105  1
  Ta  Ta273  1  0.359740  0.018144  0.669601  1
  Ta  Ta274  1  0.836596  0.622323  0.710278  1
  Ta  Ta275  1  0.406462  0.184326  0.649110  1
  Ta  Ta276  1  0.880341  0.808358  0.692021  1
  Ta  Ta277  1  0.174041  0.458719  0.676418  1
  Ta  Ta278  1  0.642627  0.086260  0.717157  1
  Ta  Ta279  1  0.315415  0.844952  0.688406  1
  Ta  Ta280  1  0.837932  0.215682  0.646344  1
  Ta  Ta281  1  0.404281  0.609221  0.713589  1
  Ta  Ta282  1  0.925464  0.985913  0.672844  1
  Ta  Ta283  1  0.591725  0.748928  0.641063  1
  Ta  Ta284  1  0.064844  0.375872  0.685270  1
  Ta  Ta285  1  0.298492  0.470722  0.645926  1
  Ta  Ta286  1  0.770977  0.105986  0.691643  1
  Ta  Ta287  1  0.208582  0.155754  0.687238  1
  Ta  Ta288  1  0.735560  0.518625  0.639525  1
  Ta  Ta289  1  0.528048  0.188335  0.678715  1
  Ta  Ta290  1  0.994706  0.823340  0.722184  1
  Ta  Ta291  1  0.435732  0.853518  0.718573  1
  Ta  Ta292  1  0.966138  0.228523  0.673808  1
  Ta  Ta293  1  0.235828  0.021676  0.639474  1
  Ta  Ta294  1  0.708416  0.657604  0.683483  1
  Ta  Ta295  1  0.466760  0.732069  0.673135  1
  Ta  Ta296  1  0.950017  0.360689  0.717988  1
  Ta  Ta297  1  0.269765  0.609076  0.692333  1
  Ta  Ta298  1  0.798765  0.970285  0.646139  1
  Ta  Ta299  1  0.507038  0.323900  0.724461  1
  Ta  Ta300  1  0.030056  0.680966  0.679684  1
