# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.65980196
_cell_length_b   11.39778814
_cell_length_c   50.39625132
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.65757727
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11950.610843
_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  0.822610  0.204491  0.288701  1
  Ta  Ta2  1  0.296847  0.814196  0.330826  1
  Ta  Ta3  1  0.440899  0.261428  0.338114  1
  Ta  Ta4  1  0.965212  0.628568  0.289751  1
  Ta  Ta5  1  0.469161  0.983396  0.338603  1
  Ta  Ta6  1  0.999156  0.342972  0.294319  1
  Ta  Ta7  1  0.400604  0.710908  0.287688  1
  Ta  Ta8  1  0.880872  0.328665  0.329543  1
  Ta  Ta9  1  0.756025  0.478046  0.311131  1
  Ta  Ta10  1  0.235354  0.099810  0.354165  1
  Ta  Ta11  1  0.779622  0.016780  0.308435  1
  Ta  Ta12  1  0.251963  0.639238  0.350108  1
  Ta  Ta13  1  0.712411  0.893206  0.348558  1
  Ta  Ta14  1  0.240861  0.251697  0.303742  1
  Ta  Ta15  1  0.403919  0.533266  0.332292  1
  Ta  Ta16  1  0.926057  0.900649  0.287725  1
  Ta  Ta17  1  0.674655  0.176411  0.347530  1
  Ta  Ta18  1  0.198190  0.540284  0.298430  1
  Ta  Ta19  1  0.776417  0.250425  0.338892  1
  Ta  Ta20  1  0.305247  0.623654  0.290748  1
  Ta  Ta21  1  0.527593  0.555326  0.304593  1
  Ta  Ta22  1  0.004961  0.176223  0.345402  1
  Ta  Ta23  1  0.557048  0.720246  0.343050  1
  Ta  Ta24  1  0.085966  0.083694  0.294438  1
  Ta  Ta25  1  0.568990  0.100573  0.355004  1
  Ta  Ta26  1  0.091161  0.480661  0.311947  1
  Ta  Ta27  1  0.602952  0.883098  0.317988  1
  Ta  Ta28  1  0.129254  0.268193  0.276914  1
  Ta  Ta29  1  0.347701  0.984477  0.311060  1
  Ta  Ta30  1  0.819464  0.609936  0.353047  1
  Ta  Ta31  1  0.631855  0.630757  0.296320  1
  Ta  Ta32  1  0.112831  0.248466  0.336247  1
  Ta  Ta33  1  0.490427  0.848314  0.293626  1
  Ta  Ta34  1  0.966824  0.482786  0.337934  1
  Ta  Ta35  1  0.647075  0.445147  0.342552  1
  Ta  Ta36  1  0.175793  0.801727  0.298676  1
  Ta  Ta37  1  0.319984  0.404410  0.317519  1
  Ta  Ta38  1  0.837484  0.796173  0.274705  1
  Ta  Ta39  1  0.739633  0.759613  0.302951  1
  Ta  Ta40  1  0.210631  0.396035  0.348174  1
  Ta  Ta41  1  0.674917  0.314366  0.297881  1
  Ta  Ta42  1  0.150565  0.943506  0.342531  1
  Ta  Ta43  1  0.513747  0.542923  0.363558  1
  Ta  Ta44  1  0.037241  0.923839  0.317576  1
  Ta  Ta45  1  0.438614  0.396952  0.288580  1
  Ta  Ta46  1  0.904343  0.032191  0.332533  1
  Ta  Ta47  1  0.685106  0.669029  0.348235  1
  Ta  Ta48  1  0.214133  0.028989  0.300019  1
  Ta  Ta49  1  0.518410  0.116722  0.296940  1
  Ta  Ta50  1  0.993030  0.736722  0.338476  1
  Ta  Ta51  1  0.337333  0.185887  0.346763  1
  Ta  Ta52  1  0.863547  0.552324  0.298430  1
  Ta  Ta53  1  0.648125  0.071163  0.302453  1
  Ta  Ta54  1  0.122422  0.689961  0.343575  1
  Ta  Ta55  1  0.549592  0.324959  0.327578  1
  Ta  Ta56  1  0.068166  0.715448  0.286838  1
  Ta  Ta57  1  0.430258  0.765946  0.337624  1
  Ta  Ta58  1  0.951471  0.143082  0.289578  1
  Ta  Ta59  1  0.392412  0.160150  0.292998  1
  Ta  Ta60  1  0.864239  0.783678  0.332317  1
  Ta  Ta61  1  0.771046  0.445361  0.375474  1
  Ta  Ta62  1  0.246040  0.069895  0.420336  1
  Ta  Ta63  1  0.390531  0.509117  0.428298  1
  Ta  Ta64  1  0.916968  0.880383  0.382077  1
  Ta  Ta65  1  0.416792  0.238030  0.430457  1
  Ta  Ta66  1  0.942354  0.609218  0.384305  1
  Ta  Ta67  1  0.355385  0.954637  0.374688  1
  Ta  Ta68  1  0.830817  0.578081  0.419236  1
  Ta  Ta69  1  0.709682  0.729781  0.400889  1
  Ta  Ta70  1  0.183929  0.355767  0.445909  1
  Ta  Ta71  1  0.726735  0.269012  0.396371  1
  Ta  Ta72  1  0.201446  0.895054  0.441579  1
  Ta  Ta73  1  0.661303  0.147440  0.440788  1
  Ta  Ta74  1  0.187543  0.518113  0.394756  1
  Ta  Ta75  1  0.353688  0.787127  0.424543  1
  Ta  Ta76  1  0.880402  0.158952  0.378755  1
  Ta  Ta77  1  0.623729  0.426737  0.437936  1
  Ta  Ta78  1  0.149321  0.798309  0.391191  1
  Ta  Ta79  1  0.727053  0.500789  0.429143  1
  Ta  Ta80  1  0.252063  0.874243  0.383554  1
  Ta  Ta81  1  0.478673  0.803731  0.392641  1
  Ta  Ta82  1  0.954202  0.428599  0.437103  1
  Ta  Ta83  1  0.507276  0.968374  0.433127  1
  Ta  Ta84  1  0.033168  0.339359  0.386490  1
  Ta  Ta85  1  0.517504  0.355622  0.446587  1
  Ta  Ta86  1  0.043227  0.729237  0.400610  1
  Ta  Ta87  1  0.551718  0.138108  0.411713  1
  Ta  Ta88  1  0.076436  0.512754  0.366732  1
  Ta  Ta89  1  0.293097  0.239888  0.399837  1
  Ta  Ta90  1  0.768653  0.864902  0.444953  1
  Ta  Ta91  1  0.586719  0.880069  0.382874  1
  Ta  Ta92  1  0.061224  0.504541  0.427759  1
  Ta  Ta93  1  0.442404  0.107632  0.384800  1
  Ta  Ta94  1  0.916911  0.735318  0.430017  1
  Ta  Ta95  1  0.597724  0.697852  0.434937  1
  Ta  Ta96  1  0.123050  0.069170  0.388618  1
  Ta  Ta97  1  0.269649  0.653859  0.409914  1
  Ta  Ta98  1  0.795904  0.026713  0.365267  1
  Ta  Ta99  1  0.686553  0.018852  0.395277  1
  Ta  Ta100  1  0.160305  0.648738  0.440574  1
  Ta  Ta101  1  0.624337  0.569344  0.389520  1
  Ta  Ta102  1  0.099001  0.197580  0.434631  1
  Ta  Ta103  1  0.463068  0.797127  0.454111  1
  Ta  Ta104  1  0.989087  0.169614  0.408166  1
  Ta  Ta105  1  0.378962  0.656327  0.378892  1
  Ta  Ta106  1  0.854081  0.285370  0.424288  1
  Ta  Ta107  1  0.634945  0.918114  0.438961  1
  Ta  Ta108  1  0.160944  0.289274  0.392196  1
  Ta  Ta109  1  0.468499  0.363903  0.385037  1
  Ta  Ta110  1  0.943439  0.989546  0.429906  1
  Ta  Ta111  1  0.287196  0.434963  0.436984  1
  Ta  Ta112  1  0.813190  0.805046  0.390677  1
  Ta  Ta113  1  0.596970  0.318354  0.390219  1
  Ta  Ta114  1  0.072210  0.943777  0.435076  1
  Ta  Ta115  1  0.496944  0.579385  0.419703  1
  Ta  Ta116  1  0.022658  0.952839  0.373490  1
  Ta  Ta117  1  0.379550  0.018316  0.427388  1
  Ta  Ta118  1  0.905470  0.390930  0.381436  1
  Ta  Ta119  1  0.338087  0.414220  0.378180  1
  Ta  Ta120  1  0.813758  0.039064  0.424075  1
  Ta  Ta121  1  0.721166  0.696263  0.466121  1
  Ta  Ta122  1  0.195647  0.322796  0.511585  1
  Ta  Ta123  1  0.339954  0.762731  0.519564  1
  Ta  Ta124  1  0.865922  0.134268  0.473364  1
  Ta  Ta125  1  0.365955  0.491798  0.522102  1
  Ta  Ta126  1  0.891814  0.863020  0.475947  1
  Ta  Ta127  1  0.304924  0.206289  0.465191  1
  Ta  Ta128  1  0.780076  0.831427  0.510394  1
  Ta  Ta129  1  0.658733  0.983392  0.491939  1
  Ta  Ta130  1  0.133647  0.609008  0.537306  1
  Ta  Ta131  1  0.675965  0.522041  0.487269  1
  Ta  Ta132  1  0.150825  0.148763  0.532966  1
  Ta  Ta133  1  0.609940  0.401974  0.532217  1
  Ta  Ta134  1  0.136033  0.773742  0.486435  1
  Ta  Ta135  1  0.302496  0.041668  0.516033  1
  Ta  Ta136  1  0.828829  0.412904  0.470135  1
  Ta  Ta137  1  0.572836  0.680620  0.528991  1
  Ta  Ta138  1  0.098623  0.052627  0.482891  1
  Ta  Ta139  1  0.676422  0.754338  0.520026  1
  Ta  Ta140  1  0.201881  0.127051  0.474303  1
  Ta  Ta141  1  0.428031  0.056981  0.483297  1
  Ta  Ta142  1  0.903164  0.682350  0.528460  1
  Ta  Ta143  1  0.456319  0.221873  0.524270  1
  Ta  Ta144  1  0.982323  0.593353  0.478127  1
  Ta  Ta145  1  0.466606  0.609840  0.537778  1
  Ta  Ta146  1  0.992614  0.981807  0.491768  1
  Ta  Ta147  1  0.500516  0.392318  0.503080  1
  Ta  Ta148  1  0.026294  0.764607  0.457148  1
  Ta  Ta149  1  0.242909  0.492562  0.490900  1
  Ta  Ta150  1  0.717634  0.118569  0.536223  1
  Ta  Ta151  1  0.535554  0.132613  0.473963  1
  Ta  Ta152  1  0.010580  0.758175  0.519159  1
  Ta  Ta153  1  0.390943  0.363351  0.476217  1
  Ta  Ta154  1  0.866015  0.989753  0.521479  1
  Ta  Ta155  1  0.546870  0.951946  0.526386  1
  Ta  Ta156  1  0.072678  0.323578  0.480359  1
  Ta  Ta157  1  0.219275  0.907679  0.501242  1
  Ta  Ta158  1  0.744800  0.280469  0.455702  1
  Ta  Ta159  1  0.635385  0.274924  0.486756  1
  Ta  Ta160  1  0.109937  0.902914  0.532211  1
  Ta  Ta161  1  0.572737  0.825075  0.480904  1
  Ta  Ta162  1  0.047655  0.451898  0.526261  1
  Ta  Ta163  1  0.412301  0.050651  0.545222  1
  Ta  Ta164  1  0.938183  0.422791  0.499345  1
  Ta  Ta165  1  0.328641  0.912377  0.470270  1
  Ta  Ta166  1  0.803403  0.539873  0.515612  1
  Ta  Ta167  1  0.583984  0.171761  0.530081  1
  Ta  Ta168  1  0.109829  0.544000  0.484082  1
  Ta  Ta169  1  0.417334  0.617492  0.476040  1
  Ta  Ta170  1  0.892613  0.242882  0.521118  1
  Ta  Ta171  1  0.236686  0.688288  0.528171  1
  Ta  Ta172  1  0.762385  0.060419  0.482304  1
  Ta  Ta173  1  0.546112  0.572037  0.481277  1
  Ta  Ta174  1  0.021300  0.197618  0.526431  1
  Ta  Ta175  1  0.446046  0.833305  0.510650  1
  Ta  Ta176  1  0.972031  0.205412  0.464620  1
  Ta  Ta177  1  0.328739  0.271432  0.518399  1
  Ta  Ta178  1  0.854758  0.643144  0.472244  1
  Ta  Ta179  1  0.287764  0.666551  0.469529  1
  Ta  Ta180  1  0.762826  0.292714  0.515069  1
  Ta  Ta181  1  0.670169  0.949906  0.557309  1
  Ta  Ta182  1  0.145517  0.575375  0.602690  1
  Ta  Ta183  1  0.289342  0.017153  0.611285  1
  Ta  Ta184  1  0.815045  0.387928  0.564469  1
  Ta  Ta185  1  0.315621  0.746356  0.613866  1
  Ta  Ta186  1  0.840957  0.116936  0.567476  1
  Ta  Ta187  1  0.254619  0.459623  0.556576  1
  Ta  Ta188  1  0.729043  0.085161  0.601486  1
  Ta  Ta189  1  0.607868  0.237054  0.583070  1
  Ta  Ta190  1  0.083235  0.860447  0.627842  1
  Ta  Ta191  1  0.625016  0.775727  0.578156  1
  Ta  Ta192  1  0.100625  0.400920  0.624363  1
  Ta  Ta193  1  0.558263  0.656179  0.623555  1
  Ta  Ta194  1  0.084931  0.027985  0.577962  1
  Ta  Ta195  1  0.251053  0.297340  0.607717  1
  Ta  Ta196  1  0.777499  0.667266  0.561588  1
  Ta  Ta197  1  0.521792  0.934707  0.620150  1
  Ta  Ta198  1  0.048093  0.305977  0.574198  1
  Ta  Ta199  1  0.625615  0.009514  0.611423  1
  Ta  Ta200  1  0.151396  0.380286  0.565514  1
  Ta  Ta201  1  0.377375  0.310909  0.574624  1
  Ta  Ta202  1  0.851796  0.934725  0.619638  1
  Ta  Ta203  1  0.405489  0.476274  0.615876  1
  Ta  Ta204  1  0.931365  0.846590  0.569361  1
  Ta  Ta205  1  0.416056  0.862730  0.628940  1
  Ta  Ta206  1  0.941759  0.235434  0.582784  1
  Ta  Ta207  1  0.449542  0.645928  0.594213  1
  Ta  Ta208  1  0.975562  0.017870  0.548344  1
  Ta  Ta209  1  0.192509  0.745496  0.582151  1
  Ta  Ta210  1  0.667691  0.369380  0.626877  1
  Ta  Ta211  1  0.484448  0.386753  0.565258  1
  Ta  Ta212  1  0.959899  0.011143  0.609885  1
  Ta  Ta213  1  0.339555  0.617957  0.567820  1
  Ta  Ta214  1  0.814293  0.245104  0.612938  1
  Ta  Ta215  1  0.496236  0.206430  0.617867  1
  Ta  Ta216  1  0.021872  0.577068  0.572046  1
  Ta  Ta217  1  0.168955  0.161394  0.592602  1
  Ta  Ta218  1  0.694021  0.534230  0.546611  1
  Ta  Ta219  1  0.584653  0.529642  0.578040  1
  Ta  Ta220  1  0.059656  0.158579  0.623627  1
  Ta  Ta221  1  0.521742  0.079763  0.572271  1
  Ta  Ta222  1  0.996261  0.707360  0.617732  1
  Ta  Ta223  1  0.362191  0.302886  0.635613  1
  Ta  Ta224  1  0.887022  0.676687  0.590781  1
  Ta  Ta225  1  0.278294  0.166626  0.561903  1
  Ta  Ta226  1  0.752290  0.795873  0.607094  1
  Ta  Ta227  1  0.533226  0.424666  0.620915  1
  Ta  Ta228  1  0.059042  0.796862  0.575125  1
  Ta  Ta229  1  0.366371  0.871692  0.567359  1
  Ta  Ta230  1  0.841841  0.496135  0.612199  1
  Ta  Ta231  1  0.186656  0.940944  0.618961  1
  Ta  Ta232  1  0.711702  0.314015  0.573207  1
  Ta  Ta233  1  0.495224  0.825646  0.572415  1
  Ta  Ta234  1  0.970199  0.450814  0.617496  1
  Ta  Ta235  1  0.395407  0.086189  0.601752  1
  Ta  Ta236  1  0.921191  0.459295  0.555861  1
  Ta  Ta237  1  0.277661  0.526294  0.610264  1
  Ta  Ta238  1  0.803801  0.896633  0.563422  1
  Ta  Ta239  1  0.237137  0.920304  0.560905  1
  Ta  Ta240  1  0.712105  0.545371  0.605920  1
  Ta  Ta241  1  0.619051  0.205121  0.649155  1
  Ta  Ta242  1  0.091005  0.830425  0.691501  1
  Ta  Ta243  1  0.241228  0.274604  0.704007  1
  Ta  Ta244  1  0.764132  0.637858  0.654766  1
  Ta  Ta245  1  0.263681  0.013460  0.703866  1
  Ta  Ta246  1  0.791373  0.369240  0.659896  1
  Ta  Ta247  1  0.203328  0.715412  0.648336  1
  Ta  Ta248  1  0.681929  0.336465  0.691340  1
  Ta  Ta249  1  0.557580  0.486416  0.673074  1
  Ta  Ta250  1  0.037930  0.104335  0.714709  1
  Ta  Ta251  1  0.574469  0.030713  0.669045  1
  Ta  Ta252  1  0.045860  0.654875  0.709475  1
  Ta  Ta253  1  0.515678  0.917441  0.713373  1
  Ta  Ta254  1  0.034837  0.281577  0.670210  1
  Ta  Ta255  1  0.198280  0.563378  0.698744  1
  Ta  Ta256  1  0.725736  0.921818  0.653964  1
  Ta  Ta257  1  0.474712  0.186852  0.711860  1
  Ta  Ta258  1  0.997793  0.553391  0.664412  1
  Ta  Ta259  1  0.575166  0.260452  0.703227  1
  Ta  Ta260  1  0.101317  0.629251  0.655807  1
  Ta  Ta261  1  0.326082  0.567091  0.666169  1
  Ta  Ta262  1  0.805950  0.184116  0.706146  1
  Ta  Ta263  1  0.353427  0.731640  0.707935  1
  Ta  Ta264  1  0.881354  0.094262  0.659503  1
  Ta  Ta265  1  0.372092  0.100115  0.715555  1
  Ta  Ta266  1  0.889008  0.489620  0.674908  1
  Ta  Ta267  1  0.402263  0.892036  0.684982  1
  Ta  Ta268  1  0.924823  0.271643  0.638968  1
  Ta  Ta269  1  0.141833  1.000762  0.671648  1
  Ta  Ta270  1  0.616512  0.611734  0.713645  1
  Ta  Ta271  1  0.433906  0.639499  0.657004  1
  Ta  Ta272  1  0.910661  0.259275  0.697911  1
  Ta  Ta273  1  0.288452  0.872182  0.659970  1
  Ta  Ta274  1  0.763415  0.500571  0.704487  1
  Ta  Ta275  1  0.440674  0.472594  0.708042  1
  Ta  Ta276  1  0.969195  0.831555  0.663940  1
  Ta  Ta277  1  0.118944  0.410677  0.685055  1
  Ta  Ta278  1  0.643003  0.787260  0.636809  1
  Ta  Ta279  1  0.534543  0.783218  0.669831  1
  Ta  Ta280  1  1.000068  0.417955  0.713891  1
  Ta  Ta281  1  0.471988  0.332721  0.664343  1
  Ta  Ta282  1  0.947864  0.966495  0.708858  1
  Ta  Ta283  1  0.310371  0.547158  0.725388  1
  Ta  Ta284  1  0.834687  0.932102  0.684686  1
  Ta  Ta285  1  0.228203  0.419239  0.654339  1
  Ta  Ta286  1  0.697574  0.054602  0.698792  1
  Ta  Ta287  1  0.487844  0.674356  0.713021  1
  Ta  Ta288  1  0.008229  0.048888  0.664922  1
  Ta  Ta289  1  0.316500  0.125373  0.658889  1
  Ta  Ta290  1  0.789710  0.743521  0.700008  1
  Ta  Ta291  1  0.133943  0.191101  0.711571  1
  Ta  Ta292  1  0.662225  0.563981  0.663391  1
  Ta  Ta293  1  0.445879  0.079229  0.663738  1
  Ta  Ta294  1  0.919798  0.698200  0.705487  1
  Ta  Ta295  1  0.348205  0.334582  0.690466  1
  Ta  Ta296  1  0.869611  0.714250  0.647514  1
  Ta  Ta297  1  0.225028  0.786211  0.702362  1
  Ta  Ta298  1  0.753206  0.145535  0.654334  1
  Ta  Ta299  1  0.186830  0.175931  0.652415  1
  Ta  Ta300  1  0.658817  0.798494  0.693224  1
