# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79565980
_cell_length_b   22.39115361
_cell_length_c   52.03325241
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.37683949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta264
_cell_volume   10184.2838209
_cell_formula_units_Z   264
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  0.131920  0.374594  0.283746  1
  Ta  Ta2  1  0.049960  0.902246  0.269130  1
  Ta  Ta3  1  0.721480  0.630767  0.323373  1
  Ta  Ta4  1  0.633005  0.146370  0.283516  1
  Ta  Ta5  1  0.134489  0.756159  0.344806  1
  Ta  Ta6  1  0.140214  0.246699  0.289691  1
  Ta  Ta7  1  0.237453  0.561353  0.304455  1
  Ta  Ta8  1  0.159475  0.043574  0.273281  1
  Ta  Ta9  1  0.939954  0.720328  0.303629  1
  Ta  Ta10  1  0.833022  0.263138  0.280368  1
  Ta  Ta11  1  0.501369  0.523939  0.329156  1
  Ta  Ta12  1  0.418260  0.053875  0.298496  1
  Ta  Ta13  1  0.013775  0.472506  0.317306  1
  Ta  Ta14  1  0.893061  0.983060  0.291868  1
  Ta  Ta15  1  0.456662  0.798136  0.314425  1
  Ta  Ta16  1  0.396946  0.325558  0.272431  1
  Ta  Ta17  1  0.718087  0.497009  0.294170  1
  Ta  Ta18  1  0.622707  0.999145  0.271525  1
  Ta  Ta19  1  0.725523  0.760518  0.338414  1
  Ta  Ta20  1  0.517543  0.248011  0.302558  1
  Ta  Ta21  1  0.427837  0.662515  0.338007  1
  Ta  Ta22  1  0.329353  0.170119  0.267732  1
  Ta  Ta23  1  0.078276  0.629408  0.335580  1
  Ta  Ta24  1  0.981212  0.132661  0.293709  1
  Ta  Ta25  1  0.259632  0.688235  0.295050  1
  Ta  Ta26  1  0.294547  0.153391  0.317701  1
  Ta  Ta27  1  0.936798  0.593316  0.289163  1
  Ta  Ta28  1  0.083035  0.060004  0.331766  1
  Ta  Ta29  1  0.354627  0.468059  0.282676  1
  Ta  Ta30  1  0.551063  0.948384  0.322066  1
  Ta  Ta31  1  0.706684  0.869384  0.294198  1
  Ta  Ta32  1  0.965999  0.333596  0.323535  1
  Ta  Ta33  1  0.496446  0.393344  0.314372  1
  Ta  Ta34  1  0.375860  0.914525  0.279168  1
  Ta  Ta35  1  0.964976  0.858276  0.320839  1
  Ta  Ta36  1  0.761592  0.375402  0.289255  1
  Ta  Ta37  1  0.529306  0.595861  0.284437  1
  Ta  Ta38  1  0.727847  0.060771  0.317873  1
  Ta  Ta39  1  0.616582  0.717895  0.290483  1
  Ta  Ta40  1  0.827034  0.206367  0.324631  1
  Ta  Ta41  1  0.182447  0.811080  0.291717  1
  Ta  Ta42  1  0.284561  0.301952  0.330806  1
  Ta  Ta43  1  0.016623  0.482430  0.267783  1
  Ta  Ta44  1  0.182240  0.957446  0.312284  1
  Ta  Ta45  1  0.466306  0.353547  0.369625  1
  Ta  Ta46  1  0.296248  0.873248  0.341890  1
  Ta  Ta47  1  0.992282  0.588477  0.393301  1
  Ta  Ta48  1  0.873202  0.113902  0.361058  1
  Ta  Ta49  1  0.340936  0.731259  0.429837  1
  Ta  Ta50  1  0.403993  0.221050  0.366404  1
  Ta  Ta51  1  0.530657  0.471095  0.375968  1
  Ta  Ta52  1  0.390136  0.027788  0.349952  1
  Ta  Ta53  1  0.226489  0.677653  0.382131  1
  Ta  Ta54  1  0.092818  0.208431  0.348794  1
  Ta  Ta55  1  0.789319  0.490177  0.405470  1
  Ta  Ta56  1  0.662366  0.018607  0.374277  1
  Ta  Ta57  1  0.270456  0.426498  0.399167  1
  Ta  Ta58  1  0.141832  0.953889  0.369025  1
  Ta  Ta59  1  0.746856  0.778032  0.394460  1
  Ta  Ta60  1  0.670351  0.294556  0.343717  1
  Ta  Ta61  1  0.007877  0.447488  0.373530  1
  Ta  Ta62  1  0.866990  0.962953  0.344049  1
  Ta  Ta63  1  0.011032  0.730864  0.411258  1
  Ta  Ta64  1  0.769887  0.218079  0.381937  1
  Ta  Ta65  1  0.621717  0.587392  0.376160  1
  Ta  Ta66  1  0.566787  0.141258  0.342630  1
  Ta  Ta67  1  0.362453  0.583309  0.409523  1
  Ta  Ta68  1  0.234272  0.108223  0.375737  1
  Ta  Ta69  1  0.537550  0.688583  0.395353  1
  Ta  Ta70  1  0.549092  0.122099  0.395954  1
  Ta  Ta71  1  0.239762  0.543122  0.362664  1
  Ta  Ta72  1  0.338857  0.026178  0.409875  1
  Ta  Ta73  1  0.749239  0.418766  0.345071  1
  Ta  Ta74  1  0.804665  0.918728  0.401087  1
  Ta  Ta75  1  0.978654  0.841255  0.372300  1
  Ta  Ta76  1  0.242003  0.294527  0.397521  1
  Ta  Ta77  1  0.755396  0.365224  0.395831  1
  Ta  Ta78  1  0.656886  0.869633  0.356838  1
  Ta  Ta79  1  0.227867  0.828762  0.400796  1
  Ta  Ta80  1  0.998203  0.318973  0.372510  1
  Ta  Ta81  1  0.849506  0.539972  0.348448  1
  Ta  Ta82  1  0.977487  0.031397  0.394664  1
  Ta  Ta83  1  0.871142  0.683254  0.367104  1
  Ta  Ta84  1  0.068272  0.184567  0.401233  1
  Ta  Ta85  1  0.432139  0.780330  0.369197  1
  Ta  Ta86  1  0.550606  0.268151  0.410748  1
  Ta  Ta87  1  0.248531  0.424961  0.340482  1
  Ta  Ta88  1  0.441773  0.924774  0.386351  1
  Ta  Ta89  1  0.719608  0.321908  0.452567  1
  Ta  Ta90  1  0.540560  0.837499  0.419636  1
  Ta  Ta91  1  0.262550  0.554796  0.471459  1
  Ta  Ta92  1  0.122069  0.083604  0.438227  1
  Ta  Ta93  1  0.750456  0.639370  0.485246  1
  Ta  Ta94  1  0.652669  0.188728  0.446759  1
  Ta  Ta95  1  0.790597  0.441018  0.454478  1
  Ta  Ta96  1  0.639126  0.996877  0.427132  1
  Ta  Ta97  1  0.485081  0.643596  0.456690  1
  Ta  Ta98  1  0.340130  0.178071  0.426347  1
  Ta  Ta99  1  0.042857  0.460876  0.485107  1
  Ta  Ta100  1  0.909415  0.989331  0.452616  1
  Ta  Ta101  1  0.530770  0.397150  0.480981  1
  Ta  Ta102  1  0.392687  0.920978  0.446622  1
  Ta  Ta103  1  0.990155  0.712865  0.464631  1
  Ta  Ta104  1  0.915397  0.263528  0.426349  1
  Ta  Ta105  1  0.283903  0.431403  0.456229  1
  Ta  Ta106  1  0.117130  0.933582  0.422167  1
  Ta  Ta107  1  0.269370  0.698145  0.488458  1
  Ta  Ta108  1  0.025180  0.188021  0.460912  1
  Ta  Ta109  1  0.888316  0.558412  0.456454  1
  Ta  Ta110  1  0.819124  0.110877  0.421029  1
  Ta  Ta111  1  0.581703  0.526838  0.486592  1
  Ta  Ta112  1  0.483731  0.076416  0.453765  1
  Ta  Ta113  1  0.756538  0.634128  0.423243  1
  Ta  Ta114  1  0.797014  0.093738  0.474391  1
  Ta  Ta115  1  0.531537  0.510982  0.434603  1
  Ta  Ta116  1  0.591742  0.994622  0.487360  1
  Ta  Ta117  1  0.015950  0.384432  0.427078  1
  Ta  Ta118  1  0.031925  0.895585  0.481163  1
  Ta  Ta119  1  0.194437  0.815992  0.455485  1
  Ta  Ta120  1  0.482525  0.263803  0.477838  1
  Ta  Ta121  1  0.018081  0.334021  0.476650  1
  Ta  Ta122  1  0.912637  0.836602  0.435088  1
  Ta  Ta123  1  0.476959  0.797543  0.476107  1
  Ta  Ta124  1  0.256189  0.294981  0.448736  1
  Ta  Ta125  1  0.111547  0.506337  0.425953  1
  Ta  Ta126  1  0.229181  0.999239  0.471682  1
  Ta  Ta127  1  0.134808  0.632961  0.438792  1
  Ta  Ta128  1  0.314320  0.153523  0.478039  1
  Ta  Ta129  1  0.689809  0.742948  0.446991  1
  Ta  Ta130  1  0.799993  0.239441  0.490925  1
  Ta  Ta131  1  0.506194  0.383990  0.426391  1
  Ta  Ta132  1  0.695417  0.891849  0.463111  1
  Ta  Ta133  1  0.947087  0.287175  0.536024  1
  Ta  Ta134  1  0.836359  0.792069  0.491319  1
  Ta  Ta135  1  0.513482  0.527502  0.552212  1
  Ta  Ta136  1  0.376107  0.049019  0.515958  1
  Ta  Ta137  1  0.997103  0.609703  0.563784  1
  Ta  Ta138  1  0.930946  0.160704  0.522990  1
  Ta  Ta139  1  0.048609  0.410184  0.534960  1
  Ta  Ta140  1  0.875550  0.976964  0.508064  1
  Ta  Ta141  1  0.728856  0.615094  0.537258  1
  Ta  Ta142  1  0.586644  0.147462  0.506038  1
  Ta  Ta143  1  0.304281  0.431069  0.565637  1
  Ta  Ta144  1  0.157172  0.955027  0.526133  1
  Ta  Ta145  1  0.792905  0.368949  0.561436  1
  Ta  Ta146  1  0.676157  0.873042  0.517053  1
  Ta  Ta147  1  0.248033  0.681742  0.542477  1
  Ta  Ta148  1  0.168507  0.238752  0.504621  1
  Ta  Ta149  1  0.557421  0.413188  0.535127  1
  Ta  Ta150  1  0.375181  0.899654  0.500505  1
  Ta  Ta151  1  0.516509  0.671726  0.568111  1
  Ta  Ta152  1  0.319972  0.169723  0.534924  1
  Ta  Ta153  1  0.146144  0.531411  0.537772  1
  Ta  Ta154  1  0.075660  0.080172  0.497197  1
  Ta  Ta155  1  0.838148  0.497064  0.567865  1
  Ta  Ta156  1  0.732819  0.060495  0.533757  1
  Ta  Ta157  1  0.039130  0.604259  0.501534  1
  Ta  Ta158  1  0.084351  0.071020  0.549723  1
  Ta  Ta159  1  0.813672  0.499259  0.515505  1
  Ta  Ta160  1  0.890745  0.961181  0.563830  1
  Ta  Ta161  1  0.272030  0.354667  0.507254  1
  Ta  Ta162  1  0.426025  0.797330  0.536779  1
  Ta  Ta163  1  0.581257  0.716516  0.509853  1
  Ta  Ta164  1  0.701852  0.206528  0.554550  1
  Ta  Ta165  1  0.278750  0.305326  0.555384  1
  Ta  Ta166  1  0.160279  0.801613  0.510027  1
  Ta  Ta167  1  0.728587  0.764931  0.553421  1
  Ta  Ta168  1  0.543492  0.284580  0.528047  1
  Ta  Ta169  1  0.334191  0.473365  0.510052  1
  Ta  Ta170  1  0.521853  0.957033  0.544308  1
  Ta  Ta171  1  0.411659  0.604638  0.516048  1
  Ta  Ta172  1  0.487200  0.094358  0.563748  1
  Ta  Ta173  1  0.946581  0.708175  0.525074  1
  Ta  Ta174  1  0.071933  0.206062  0.568267  1
  Ta  Ta175  1  0.780999  0.365365  0.505266  1
  Ta  Ta176  1  0.950803  0.854943  0.538713  1
  Ta  Ta177  1  0.211419  0.256194  0.613280  1
  Ta  Ta178  1  0.091174  0.759334  0.569361  1
  Ta  Ta179  1  0.763716  0.496472  0.632476  1
  Ta  Ta180  1  0.642280  0.010640  0.591992  1
  Ta  Ta181  1  0.251543  0.582151  0.643966  1
  Ta  Ta182  1  0.224756  0.120921  0.595218  1
  Ta  Ta183  1  0.317805  0.379600  0.615500  1
  Ta  Ta184  1  0.246331  0.874439  0.563117  1
  Ta  Ta185  1  0.982065  0.585274  0.616508  1
  Ta  Ta186  1  0.840362  0.114286  0.579571  1
  Ta  Ta187  1  0.568683  0.396709  0.647657  1
  Ta  Ta188  1  0.424089  0.916150  0.605954  1
  Ta  Ta189  1  0.057983  0.342566  0.641663  1
  Ta  Ta190  1  0.919678  0.835827  0.592770  1
  Ta  Ta191  1  0.491801  0.654609  0.621605  1
  Ta  Ta192  1  0.439484  0.212025  0.582657  1
  Ta  Ta193  1  0.817731  0.382518  0.615295  1
  Ta  Ta194  1  0.632768  0.869277  0.573826  1
  Ta  Ta195  1  0.756040  0.638006  0.644193  1
  Ta  Ta196  1  0.601201  0.139340  0.612345  1
  Ta  Ta197  1  0.403826  0.503612  0.618451  1
  Ta  Ta198  1  0.271198  0.998239  0.573640  1
  Ta  Ta199  1  0.086143  0.471714  0.647650  1
  Ta  Ta200  1  0.983468  0.034807  0.606786  1
  Ta  Ta201  1  0.292609  0.577025  0.581875  1
  Ta  Ta202  1  0.384309  0.037226  0.621587  1
  Ta  Ta203  1  0.075089  0.470884  0.595750  1
  Ta  Ta204  1  0.102969  0.934165  0.611934  1
  Ta  Ta205  1  0.534982  0.326535  0.585326  1
  Ta  Ta206  1  0.670737  0.769349  0.614697  1
  Ta  Ta207  1  0.832476  0.687360  0.589393  1
  Ta  Ta208  1  0.977573  0.159230  0.625113  1
  Ta  Ta209  1  0.557988  0.271316  0.630855  1
  Ta  Ta210  1  0.406516  0.775177  0.589449  1
  Ta  Ta211  1  0.969604  0.735570  0.635257  1
  Ta  Ta212  1  0.824828  0.253540  0.602793  1
  Ta  Ta213  1  0.590756  0.444104  0.591018  1
  Ta  Ta214  1  0.760644  0.919605  0.620074  1
  Ta  Ta215  1  0.662597  0.575978  0.596190  1
  Ta  Ta216  1  0.760352  0.064142  0.643425  1
  Ta  Ta217  1  0.193174  0.680506  0.604834  1
  Ta  Ta218  1  0.357959  0.172642  0.643794  1
  Ta  Ta219  1  0.055970  0.342559  0.585607  1
  Ta  Ta220  1  0.199734  0.822595  0.620901  1
  Ta  Ta221  1  0.541823  0.234360  0.693981  1
  Ta  Ta222  1  0.338672  0.732270  0.649402  1
  Ta  Ta223  1  0.039460  0.468032  0.710103  1
  Ta  Ta224  1  0.936845  0.974971  0.660590  1
  Ta  Ta225  1  0.597365  0.578728  0.716084  1
  Ta  Ta226  1  0.461971  0.068204  0.672370  1
  Ta  Ta227  1  0.504906  0.361321  0.701106  1
  Ta  Ta228  1  0.506453  0.844297  0.646996  1
  Ta  Ta229  1  0.239738  0.565984  0.696713  1
  Ta  Ta230  1  0.144502  0.074227  0.650578  1
  Ta  Ta231  1  0.802042  0.347618  0.715910  1
  Ta  Ta232  1  0.712528  0.880859  0.686995  1
  Ta  Ta233  1  0.237096  0.259138  0.712900  1
  Ta  Ta234  1  0.201888  0.817076  0.676156  1
  Ta  Ta235  1  0.808274  0.661710  0.694854  1
  Ta  Ta236  1  0.724596  0.179277  0.658739  1
  Ta  Ta237  1  0.111877  0.356551  0.694509  1
  Ta  Ta238  1  0.921034  0.849115  0.650982  1
  Ta  Ta239  1  0.963703  0.586169  0.722256  1
  Ta  Ta240  1  0.949590  0.111525  0.687271  1
  Ta  Ta241  1  0.679384  0.473568  0.701516  1
  Ta  Ta242  1  0.570399  0.965271  0.654591  1
  Ta  Ta243  1  0.376674  0.472385  0.718870  1
  Ta  Ta244  1  0.244831  0.941334  0.657868  1
  Ta  Ta245  1  0.546376  0.546995  0.665119  1
  Ta  Ta246  1  0.753044  1.005800  0.698862  1
  Ta  Ta247  1  0.330666  0.442472  0.670721  1
  Ta  Ta248  1  0.417735  0.924048  0.698598  1
  Ta  Ta249  1  0.781081  0.298344  0.666391  1
  Ta  Ta250  1  0.932446  0.777328  0.696729  1
  Ta  Ta251  1  0.082879  0.660422  0.668079  1
  Ta  Ta252  1  0.282483  0.149207  0.695067  1
  Ta  Ta253  1  0.883393  0.231518  0.708182  1
  Ta  Ta254  1  0.676676  0.750136  0.665937  1
  Ta  Ta255  1  0.191774  0.707904  0.709843  1
  Ta  Ta256  1  0.072924  0.223103  0.667232  1
  Ta  Ta257  1  0.851368  0.414162  0.672016  1
  Ta  Ta258  1  0.032327  0.904391  0.700303  1
  Ta  Ta259  1  0.903419  0.550670  0.674772  1
  Ta  Ta260  1  0.157375  0.021418  0.698709  1
  Ta  Ta261  1  0.459688  0.659179  0.684062  1
  Ta  Ta262  1  0.659806  0.125013  0.705335  1
  Ta  Ta263  1  0.338260  0.298006  0.664353  1
  Ta  Ta264  1  0.463399  0.789687  0.699128  1
