# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87934357
_cell_length_b   21.44595515
_cell_length_c   51.12198443
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06603931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta220
_cell_volume   8638.58968297
_cell_formula_units_Z   220
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  0.896592  1.001550  0.291890  1
  Ta  Ta2  1  0.901296  0.470544  0.335766  1
  Ta  Ta3  1  0.403367  0.209787  0.355825  1
  Ta  Ta4  1  0.390508  0.726423  0.311830  1
  Ta  Ta5  1  0.816196  0.143842  0.305934  1
  Ta  Ta6  1  0.832785  0.619580  0.349908  1
  Ta  Ta7  1  0.002790  0.353583  0.322930  1
  Ta  Ta8  1  -0.007189  0.880992  0.279322  1
  Ta  Ta9  1  0.637241  0.119667  0.349881  1
  Ta  Ta10  1  0.653851  0.643873  0.305973  1
  Ta  Ta11  1  0.136382  0.285700  0.362856  1
  Ta  Ta12  1  0.134677  0.814868  0.317150  1
  Ta  Ta13  1  0.637394  0.912562  0.282665  1
  Ta  Ta14  1  0.633589  0.399627  0.326608  1
  Ta  Ta15  1  0.156998  0.084109  0.300344  1
  Ta  Ta16  1  0.140065  0.556913  0.343654  1
  Ta  Ta17  1  0.476795  0.381022  0.279303  1
  Ta  Ta18  1  0.467086  0.853593  0.322932  1
  Ta  Ta19  1  0.329945  0.056945  0.343630  1
  Ta  Ta20  1  0.312968  0.584111  0.300356  1
  Ta  Ta21  1  0.079513  0.226425  0.311810  1
  Ta  Ta22  1  0.066540  0.709781  0.355843  1
  Ta  Ta23  1  0.684290  0.277980  0.313767  1
  Ta  Ta24  1  0.650475  0.731772  0.357813  1
  Ta  Ta25  1  0.082560  0.143033  0.351369  1
  Ta  Ta26  1  0.046266  0.673208  0.307016  1
  Ta  Ta27  1  0.819782  0.231726  0.357768  1
  Ta  Ta28  1  0.785634  0.777957  0.313763  1
  Ta  Ta29  1  0.293360  0.956846  0.291466  1
  Ta  Ta30  1  0.323590  0.444806  0.335316  1
  Ta  Ta31  1  0.558414  0.052463  0.297077  1
  Ta  Ta32  1  0.576368  0.538173  0.341876  1
  Ta  Ta33  1  0.146149  0.944987  0.335301  1
  Ta  Ta34  1  0.176474  0.456913  0.291478  1
  Ta  Ta35  1  0.568636  0.970591  0.335734  1
  Ta  Ta36  1  0.573209  0.501569  0.291898  1
  Ta  Ta37  1  0.335329  0.314774  0.317115  1
  Ta  Ta38  1  0.333838  0.785492  0.362858  1
  Ta  Ta39  1  0.423848  0.173202  0.306995  1
  Ta  Ta40  1  0.387587  0.643010  0.351394  1
  Ta  Ta41  1  0.893361  0.038207  0.341870  1
  Ta  Ta42  1  0.911382  0.552444  0.297116  1
  Ta  Ta43  1  0.836198  0.899585  0.326619  1
  Ta  Ta44  1  0.832329  0.412577  0.282678  1
  Ta  Ta45  1  0.888975  0.948737  0.381403  1
  Ta  Ta46  1  0.896035  0.425374  0.426330  1
  Ta  Ta47  1  0.395727  0.164056  0.447654  1
  Ta  Ta48  1  0.393109  0.685350  0.402457  1
  Ta  Ta49  1  0.828401  0.100723  0.395007  1
  Ta  Ta50  1  0.829004  0.578483  0.440315  1
  Ta  Ta51  1  0.984211  0.305524  0.413843  1
  Ta  Ta52  1  0.983166  0.829283  0.367236  1
  Ta  Ta53  1  0.641073  0.078495  0.440290  1
  Ta  Ta54  1  0.641635  0.600712  0.395031  1
  Ta  Ta55  1  0.136740  0.245038  0.455452  1
  Ta  Ta56  1  0.137379  0.769322  0.409127  1
  Ta  Ta57  1  0.639977  0.861577  0.370873  1
  Ta  Ta58  1  0.634960  0.346532  0.418510  1
  Ta  Ta59  1  0.142605  0.032542  0.389263  1
  Ta  Ta60  1  0.140220  0.511386  0.434686  1
  Ta  Ta61  1  0.486739  0.329301  0.367224  1
  Ta  Ta62  1  0.485862  0.805507  0.413840  1
  Ta  Ta63  1  0.329835  1.011398  0.434660  1
  Ta  Ta64  1  0.327372  0.532527  0.389284  1
  Ta  Ta65  1  0.077029  0.185386  0.402424  1
  Ta  Ta66  1  0.074446  0.664046  0.447672  1
  Ta  Ta67  1  0.654520  0.218305  0.404168  1
  Ta  Ta68  1  0.652606  0.693466  0.450019  1
  Ta  Ta69  1  0.076716  0.098733  0.442362  1
  Ta  Ta70  1  0.075056  0.622073  0.396591  1
  Ta  Ta71  1  0.817813  0.193316  0.449967  1
  Ta  Ta72  1  0.815803  0.718147  0.404190  1
  Ta  Ta73  1  0.317355  0.913673  0.378775  1
  Ta  Ta74  1  0.317406  0.397184  0.424822  1
  Ta  Ta75  1  0.572600  1.011853  0.387066  1
  Ta  Ta76  1  0.576778  0.490979  0.432705  1
  Ta  Ta77  1  0.152327  0.897367  0.424797  1
  Ta  Ta78  1  0.152364  0.413839  0.378824  1
  Ta  Ta79  1  0.573911  0.925388  0.426292  1
  Ta  Ta80  1  0.580856  0.448738  0.381409  1
  Ta  Ta81  1  0.332924  0.269190  0.409102  1
  Ta  Ta82  1  0.333628  0.744847  0.455461  1
  Ta  Ta83  1  0.395159  0.122079  0.396575  1
  Ta  Ta84  1  0.393577  0.598717  0.442397  1
  Ta  Ta85  1  0.893074  0.990991  0.432694  1
  Ta  Ta86  1  0.897201  0.511837  0.387102  1
  Ta  Ta87  1  0.834859  0.846391  0.418509  1
  Ta  Ta88  1  0.829813  0.361495  0.370889  1
  Ta  Ta89  1  0.894982  0.904059  0.472485  1
  Ta  Ta90  1  0.893634  0.381811  0.517885  1
  Ta  Ta91  1  0.394980  0.119074  0.539065  1
  Ta  Ta92  1  0.394387  0.641304  0.493625  1
  Ta  Ta93  1  0.829095  0.056320  0.485880  1
  Ta  Ta94  1  0.827569  0.534130  0.531356  1
  Ta  Ta95  1  0.984759  0.261572  0.505802  1
  Ta  Ta96  1  0.985329  0.784114  0.459815  1
  Ta  Ta97  1  0.642613  0.034142  0.531328  1
  Ta  Ta98  1  0.641041  0.556307  0.485908  1
  Ta  Ta99  1  0.137738  0.201333  0.547459  1
  Ta  Ta100  1  0.136447  0.722622  0.501265  1
  Ta  Ta101  1  0.637285  0.822363  0.464199  1
  Ta  Ta102  1  0.635540  0.300607  0.510339  1
  Ta  Ta103  1  0.142124  0.989003  0.480150  1
  Ta  Ta104  1  0.140374  0.466774  0.525620  1
  Ta  Ta105  1  0.484769  0.284123  0.459809  1
  Ta  Ta106  1  0.485376  0.761563  0.505807  1
  Ta  Ta107  1  0.329781  0.966778  0.525588  1
  Ta  Ta108  1  0.327977  0.488991  0.480176  1
  Ta  Ta109  1  0.075850  0.141333  0.493587  1
  Ta  Ta110  1  0.075308  0.619064  0.539087  1
  Ta  Ta111  1  0.653436  0.172116  0.495694  1
  Ta  Ta112  1  0.651405  0.649598  0.541248  1
  Ta  Ta113  1  0.077217  0.054678  0.533503  1
  Ta  Ta114  1  0.074967  0.576839  0.487766  1
  Ta  Ta115  1  0.819127  0.149442  0.541192  1
  Ta  Ta116  1  0.817044  0.671914  0.495715  1
  Ta  Ta117  1  0.317879  0.873348  0.470072  1
  Ta  Ta118  1  0.315896  0.350951  0.515847  1
  Ta  Ta119  1  0.576187  0.968442  0.477881  1
  Ta  Ta120  1  0.574065  0.446215  0.523826  1
  Ta  Ta121  1  0.153902  0.851133  0.515829  1
  Ta  Ta122  1  0.151879  0.373513  0.470122  1
  Ta  Ta123  1  0.576420  0.881825  0.517851  1
  Ta  Ta124  1  0.575023  0.404061  0.472497  1
  Ta  Ta125  1  0.333965  0.222474  0.501240  1
  Ta  Ta126  1  0.332714  0.701149  0.547477  1
  Ta  Ta127  1  0.395376  0.076852  0.487747  1
  Ta  Ta128  1  0.393186  0.554668  0.533547  1
  Ta  Ta129  1  0.895877  0.946221  0.523807  1
  Ta  Ta130  1  0.893703  0.468432  0.477917  1
  Ta  Ta131  1  0.834321  0.800433  0.510322  1
  Ta  Ta132  1  0.832532  0.322192  0.464204  1
  Ta  Ta133  1  0.897157  0.859011  0.563957  1
  Ta  Ta134  1  0.887584  0.337916  0.608997  1
  Ta  Ta135  1  0.391546  0.074754  0.630240  1
  Ta  Ta136  1  0.393337  0.597936  0.585034  1
  Ta  Ta137  1  0.832574  1.011863  0.576805  1
  Ta  Ta138  1  0.823792  0.490505  0.622081  1
  Ta  Ta139  1  0.985916  0.218010  0.597878  1
  Ta  Ta140  1  0.985544  0.739015  0.551779  1
  Ta  Ta141  1  0.646543  0.990515  0.622056  1
  Ta  Ta142  1  0.637658  0.511861  0.576841  1
  Ta  Ta143  1  0.144206  0.163118  0.641057  1
  Ta  Ta144  1  0.134190  0.676517  0.593270  1
  Ta  Ta145  1  0.638093  0.777810  0.556187  1
  Ta  Ta146  1  0.635654  0.253678  0.602749  1
  Ta  Ta147  1  0.143206  0.944559  0.571199  1
  Ta  Ta148  1  0.137221  0.422380  0.616513  1
  Ta  Ta149  1  0.484643  0.239021  0.551775  1
  Ta  Ta150  1  0.484241  0.718019  0.597897  1
  Ta  Ta151  1  0.333046  0.922391  0.616482  1
  Ta  Ta152  1  0.327007  0.444560  0.571232  1
  Ta  Ta153  1  0.076980  0.097953  0.584978  1
  Ta  Ta154  1  0.078947  0.574764  0.630272  1
  Ta  Ta155  1  0.653655  0.126339  0.586396  1
  Ta  Ta156  1  0.644072  0.608816  0.631309  1
  Ta  Ta157  1  0.078392  1.010959  0.624299  1
  Ta  Ta158  1  0.074995  0.532077  0.578907  1
  Ta  Ta159  1  0.826462  0.108650  0.631251  1
  Ta  Ta160  1  0.816900  0.626152  0.586430  1
  Ta  Ta161  1  0.319799  0.830096  0.561471  1
  Ta  Ta162  1  0.314336  0.304419  0.607212  1
  Ta  Ta163  1  0.578945  0.924487  0.569021  1
  Ta  Ta164  1  0.569941  0.400834  0.615176  1
  Ta  Ta165  1  0.155585  0.804580  0.607186  1
  Ta  Ta166  1  0.150071  0.330254  0.561522  1
  Ta  Ta167  1  0.582582  0.837948  0.608968  1
  Ta  Ta168  1  0.572938  0.359014  0.563977  1
  Ta  Ta169  1  0.336280  0.176380  0.593248  1
  Ta  Ta170  1  0.326227  0.663022  0.641118  1
  Ta  Ta171  1  0.395447  0.032085  0.578882  1
  Ta  Ta172  1  0.392116  0.510946  0.624356  1
  Ta  Ta173  1  0.900154  0.900847  0.615155  1
  Ta  Ta174  1  0.891054  0.424481  0.569056  1
  Ta  Ta175  1  0.834285  0.753533  0.602733  1
  Ta  Ta176  1  0.831815  0.277642  0.556186  1
  Ta  Ta177  1  0.907305  0.812582  0.656226  1
  Ta  Ta178  1  0.880895  0.296706  0.699391  1
  Ta  Ta179  1  0.410719  0.026663  0.719410  1
  Ta  Ta180  1  0.392186  0.554084  0.675282  1
  Ta  Ta181  1  0.839472  0.966464  0.667701  1
  Ta  Ta182  1  0.805279  0.440071  0.710892  1
  Ta  Ta183  1  0.968109  0.170078  0.688409  1
  Ta  Ta184  1  0.985219  0.693458  0.644829  1
  Ta  Ta185  1  0.665168  0.940158  0.710881  1
  Ta  Ta186  1  0.630891  0.466421  0.667734  1
  Ta  Ta187  1  0.136707  0.110883  0.728339  1
  Ta  Ta188  1  0.123872  0.624821  0.686499  1
  Ta  Ta189  1  0.643212  0.734998  0.649508  1
  Ta  Ta190  1  0.624766  0.204701  0.697956  1
  Ta  Ta191  1  0.144932  0.901795  0.661918  1
  Ta  Ta192  1  0.142605  0.381279  0.705684  1
  Ta  Ta193  1  0.485162  0.193422  0.644823  1
  Ta  Ta194  1  0.502326  0.670060  0.688444  1
  Ta  Ta195  1  0.327730  0.881353  0.705657  1
  Ta  Ta196  1  0.325409  0.401719  0.661948  1
  Ta  Ta197  1  0.078171  0.054152  0.675216  1
  Ta  Ta198  1  0.060200  0.526447  0.719427  1
  Ta  Ta199  1  0.656515  0.078688  0.673429  1
  Ta  Ta200  1  0.674487  0.566822  0.718078  1
  Ta  Ta201  1  0.070025  0.972664  0.713928  1
  Ta  Ta202  1  0.070633  0.485900  0.669934  1
  Ta  Ta203  1  0.796558  0.066792  0.718059  1
  Ta  Ta204  1  0.814091  0.578523  0.673439  1
  Ta  Ta205  1  0.332887  0.793354  0.652104  1
  Ta  Ta206  1  0.275693  0.250551  0.694455  1
  Ta  Ta207  1  0.590725  0.880887  0.660099  1
  Ta  Ta208  1  0.538715  0.350639  0.704999  1
  Ta  Ta209  1  0.194602  0.750661  0.694442  1
  Ta  Ta210  1  0.137077  0.293383  0.652161  1
  Ta  Ta211  1  0.589268  0.796785  0.699379  1
  Ta  Ta212  1  0.562998  0.312537  0.656250  1
  Ta  Ta213  1  0.346441  0.124775  0.686419  1
  Ta  Ta214  1  0.334345  0.610616  0.728390  1
  Ta  Ta215  1  0.399932  0.985955  0.669925  1
  Ta  Ta216  1  0.400860  0.472506  0.713978  1
  Ta  Ta217  1  0.931538  0.850743  0.704975  1
  Ta  Ta218  1  0.879397  0.380845  0.660122  1
  Ta  Ta219  1  0.845390  0.704804  0.697894  1
  Ta  Ta220  1  0.826770  0.234795  0.649500  1
