# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.03794816
_cell_length_b   25.40802046
_cell_length_c   46.18326088
_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   11778.7817089
_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  0.005653  0.961270  0.311613  1
  Ta  Ta2  1  0.091860  0.403806  0.276329  1
  Ta  Ta3  1  0.502742  0.737965  0.337390  1
  Ta  Ta4  1  0.487288  0.190906  0.293352  1
  Ta  Ta5  1  0.264096  0.541155  0.352817  1
  Ta  Ta6  1  0.266981  0.979826  0.305228  1
  Ta  Ta7  1  0.567078  0.510018  0.285281  1
  Ta  Ta8  1  0.568644  0.101457  0.326247  1
  Ta  Ta9  1  0.424373  0.816716  0.300510  1
  Ta  Ta10  1  0.436916  0.384732  0.351530  1
  Ta  Ta11  1  0.744391  0.939290  0.324650  1
  Ta  Ta12  1  0.776402  0.409653  0.285033  1
  Ta  Ta13  1  0.761649  0.717390  0.347267  1
  Ta  Ta14  1  0.773468  0.156123  0.299786  1
  Ta  Ta15  1  0.239467  0.757958  0.330618  1
  Ta  Ta16  1  0.223743  0.183927  0.285375  1
  Ta  Ta17  1  0.938875  0.877539  0.348791  1
  Ta  Ta18  1  0.948895  0.325249  0.304726  1
  Ta  Ta19  1  0.065349  0.597431  0.324873  1
  Ta  Ta20  1  0.056893  0.068636  0.283050  1
  Ta  Ta21  1  0.535992  0.556308  0.342876  1
  Ta  Ta22  1  0.545917  1.003358  0.301192  1
  Ta  Ta23  1  0.620967  0.883253  0.283314  1
  Ta  Ta24  1  0.627989  0.446792  0.329296  1
  Ta  Ta25  1  0.353813  0.464358  0.314163  1
  Ta  Ta26  1  0.375077  0.033352  0.354571  1
  Ta  Ta27  1  0.466787  0.918322  0.332711  1
  Ta  Ta28  1  0.482553  0.372132  0.292372  1
  Ta  Ta29  1  0.035931  0.696769  0.356403  1
  Ta  Ta30  1  0.030619  0.145376  0.318950  1
  Ta  Ta31  1  0.963644  0.775010  0.320802  1
  Ta  Ta32  1  0.972765  0.226964  0.282111  1
  Ta  Ta33  1  0.870267  0.662766  0.302773  1
  Ta  Ta34  1  0.875225  0.233944  0.342787  1
  Ta  Ta35  1  0.138838  0.682475  0.294584  1
  Ta  Ta36  1  0.140665  0.251636  0.334320  1
  Ta  Ta37  1  0.094301  0.491657  0.308713  1
  Ta  Ta38  1  0.107616  0.054495  0.345824  1
  Ta  Ta39  1  0.603430  0.637289  0.308913  1
  Ta  Ta40  1  0.610951  0.210163  0.351201  1
  Ta  Ta41  1  0.399070  0.705401  0.285751  1
  Ta  Ta42  1  0.409951  0.275762  0.326437  1
  Ta  Ta43  1  0.894440  0.858399  0.289627  1
  Ta  Ta44  1  0.910416  0.426326  0.334631  1
  Ta  Ta45  1  0.328435  0.579894  0.295880  1
  Ta  Ta46  1  0.323368  0.153857  0.340395  1
  Ta  Ta47  1  0.810746  0.534293  0.312711  1
  Ta  Ta48  1  0.819862  0.112309  0.357875  1
  Ta  Ta49  1  0.180409  0.865106  0.316856  1
  Ta  Ta50  1  0.234060  0.292835  0.280285  1
  Ta  Ta51  1  0.682881  0.826310  0.334754  1
  Ta  Ta52  1  0.690349  0.270615  0.291965  1
  Ta  Ta53  1  0.817700  0.606980  0.358006  1
  Ta  Ta54  1  0.824568  0.044923  0.314102  1
  Ta  Ta55  1  0.684909  0.757233  0.290769  1
  Ta  Ta56  1  0.694060  0.334011  0.336241  1
  Ta  Ta57  1  0.321306  0.647674  0.340300  1
  Ta  Ta58  1  0.319786  0.084441  0.297665  1
  Ta  Ta59  1  0.157006  0.786245  0.276217  1
  Ta  Ta60  1  0.200162  0.365491  0.322476  1
  Ta  Ta61  1  0.004483  0.085713  0.405582  1
  Ta  Ta62  1  1.001380  0.521662  0.363186  1
  Ta  Ta63  1  0.503489  0.866961  0.428238  1
  Ta  Ta64  1  0.508339  0.303703  0.385459  1
  Ta  Ta65  1  0.265245  0.669390  0.444167  1
  Ta  Ta66  1  0.267841  0.106092  0.397034  1
  Ta  Ta67  1  0.568637  0.655580  0.373196  1
  Ta  Ta68  1  0.572952  0.222473  0.420462  1
  Ta  Ta69  1  0.438135  0.948344  0.391706  1
  Ta  Ta70  1  0.437768  0.512828  0.442123  1
  Ta  Ta71  1  0.742422  0.065578  0.414811  1
  Ta  Ta72  1  0.740806  0.502638  0.373167  1
  Ta  Ta73  1  0.765505  0.846424  0.437712  1
  Ta  Ta74  1  0.769185  0.283616  0.394024  1
  Ta  Ta75  1  0.241608  0.887626  0.418937  1
  Ta  Ta76  1  0.244790  0.322687  0.377715  1
  Ta  Ta77  1  0.938516  1.004102  0.441194  1
  Ta  Ta78  1  0.937757  0.441133  0.399835  1
  Ta  Ta79  1  0.068515  0.729368  0.416597  1
  Ta  Ta80  1  0.072746  0.171075  0.373725  1
  Ta  Ta81  1  0.538311  0.688210  0.434884  1
  Ta  Ta82  1  0.541042  0.126518  0.387883  1
  Ta  Ta83  1  0.634421  0.012705  0.364399  1
  Ta  Ta84  1  0.632214  0.574736  0.413275  1
  Ta  Ta85  1  0.372874  0.595419  0.403063  1
  Ta  Ta86  1  0.375617  0.160088  0.447853  1
  Ta  Ta87  1  0.469916  0.045757  0.423406  1
  Ta  Ta88  1  0.465900  0.482169  0.381934  1
  Ta  Ta89  1  0.038616  0.827235  0.446588  1
  Ta  Ta90  1  0.040103  0.264924  0.404005  1
  Ta  Ta91  1  0.968465  0.906790  0.410083  1
  Ta  Ta92  1  0.972466  0.343118  0.367888  1
  Ta  Ta93  1  0.872518  0.792038  0.387927  1
  Ta  Ta94  1  0.874916  0.356846  0.436910  1
  Ta  Ta95  1  0.131437  0.813693  0.378282  1
  Ta  Ta96  1  0.134329  0.378493  0.427472  1
  Ta  Ta97  1  0.105862  0.616278  0.393426  1
  Ta  Ta98  1  0.108699  0.181377  0.439249  1
  Ta  Ta99  1  0.605955  0.770245  0.397468  1
  Ta  Ta100  1  0.608663  0.335534  0.445971  1
  Ta  Ta101  1  0.398144  0.834772  0.368148  1
  Ta  Ta102  1  0.401058  0.399507  0.418413  1
  Ta  Ta103  1  0.901491  0.989889  0.373389  1
  Ta  Ta104  1  0.899563  0.553378  0.422977  1
  Ta  Ta105  1  0.320422  0.713405  0.386038  1
  Ta  Ta106  1  0.323830  0.279304  0.433734  1
  Ta  Ta107  1  0.819748  0.671815  0.404564  1
  Ta  Ta108  1  0.822031  0.237602  0.451514  1
  Ta  Ta109  1  0.186671  0.997077  0.407298  1
  Ta  Ta110  1  0.183830  0.433106  0.365867  1
  Ta  Ta111  1  0.686438  0.955523  0.426082  1
  Ta  Ta112  1  0.688161  0.391390  0.385001  1
  Ta  Ta113  1  0.820744  0.736917  0.450163  1
  Ta  Ta114  1  0.822037  0.174541  0.404954  1
  Ta  Ta115  1  0.685951  0.891361  0.380107  1
  Ta  Ta116  1  0.686199  0.455688  0.430318  1
  Ta  Ta117  1  0.321027  0.778430  0.431125  1
  Ta  Ta118  1  0.326793  0.215928  0.387111  1
  Ta  Ta119  1  0.185808  0.934046  0.360646  1
  Ta  Ta120  1  0.186047  0.497453  0.411415  1
  Ta  Ta121  1  1.004241  0.213053  0.499116  1
  Ta  Ta122  1  1.003143  0.649116  0.453522  1
  Ta  Ta123  1  0.504499  0.994289  0.519789  1
  Ta  Ta124  1  0.503959  0.431786  0.478135  1
  Ta  Ta125  1  0.266542  0.797059  0.534772  1
  Ta  Ta126  1  0.266757  0.233400  0.490406  1
  Ta  Ta127  1  0.569254  0.785804  0.464823  1
  Ta  Ta128  1  0.569991  0.350360  0.513548  1
  Ta  Ta129  1  0.438454  0.075755  0.484523  1
  Ta  Ta130  1  0.438648  0.640192  0.532979  1
  Ta  Ta131  1  0.741776  0.192679  0.507829  1
  Ta  Ta132  1  0.741240  0.628835  0.462961  1
  Ta  Ta133  1  0.766674  0.974190  0.529017  1
  Ta  Ta134  1  0.766292  0.411267  0.487201  1
  Ta  Ta135  1  0.242023  0.014793  0.510754  1
  Ta  Ta136  1  0.241768  0.452018  0.469005  1
  Ta  Ta137  1  0.937631  0.131459  0.533849  1
  Ta  Ta138  1  0.937929  0.568741  0.490413  1
  Ta  Ta139  1  0.069959  0.857277  0.507424  1
  Ta  Ta140  1  0.070909  0.294644  0.464364  1
  Ta  Ta141  1  0.539567  0.816029  0.525686  1
  Ta  Ta142  1  0.539600  0.253128  0.481650  1
  Ta  Ta143  1  0.634714  0.138327  0.457271  1
  Ta  Ta144  1  0.633675  0.702399  0.503866  1
  Ta  Ta145  1  0.374238  0.723571  0.493912  1
  Ta  Ta146  1  0.373788  0.287739  0.540897  1
  Ta  Ta147  1  0.469030  0.172968  0.516516  1
  Ta  Ta148  1  0.468420  0.609936  0.472081  1
  Ta  Ta149  1  0.039256  0.954578  0.537745  1
  Ta  Ta150  1  0.039138  0.391755  0.495870  1
  Ta  Ta151  1  0.969169  0.034373  0.502198  1
  Ta  Ta152  1  0.968865  0.471497  0.460184  1
  Ta  Ta153  1  0.874435  0.919960  0.478990  1
  Ta  Ta154  1  0.874258  0.484686  0.528747  1
  Ta  Ta155  1  0.133837  0.941349  0.469176  1
  Ta  Ta156  1  0.133633  0.506101  0.518947  1
  Ta  Ta157  1  0.107182  0.745111  0.484147  1
  Ta  Ta158  1  0.107304  0.309022  0.531807  1
  Ta  Ta159  1  0.607619  0.898389  0.488431  1
  Ta  Ta160  1  0.607413  0.463103  0.538234  1
  Ta  Ta161  1  0.400738  0.962920  0.459715  1
  Ta  Ta162  1  0.400514  0.527661  0.509441  1
  Ta  Ta163  1  0.901042  0.117041  0.466367  1
  Ta  Ta164  1  0.900655  0.680902  0.513662  1
  Ta  Ta165  1  0.321398  0.842540  0.476618  1
  Ta  Ta166  1  0.321398  0.407012  0.525978  1
  Ta  Ta167  1  0.821548  0.800722  0.495660  1
  Ta  Ta168  1  0.821223  0.365131  0.544278  1
  Ta  Ta169  1  0.186783  0.124529  0.500155  1
  Ta  Ta170  1  0.185856  0.561296  0.456688  1
  Ta  Ta171  1  0.686408  0.082961  0.518385  1
  Ta  Ta172  1  0.686000  0.519859  0.475768  1
  Ta  Ta173  1  0.822317  0.864847  0.541212  1
  Ta  Ta174  1  0.821654  0.301533  0.497990  1
  Ta  Ta175  1  0.686934  0.019079  0.472073  1
  Ta  Ta176  1  0.686540  0.583448  0.521187  1
  Ta  Ta177  1  0.322114  0.906127  0.521987  1
  Ta  Ta178  1  0.322213  0.343137  0.479771  1
  Ta  Ta179  1  0.187116  0.060882  0.453824  1
  Ta  Ta180  1  0.186354  0.625337  0.502188  1
  Ta  Ta181  1  1.003842  0.340235  0.592559  1
  Ta  Ta182  1  0.004670  0.776930  0.544307  1
  Ta  Ta183  1  0.501583  0.121994  0.612360  1
  Ta  Ta184  1  0.504444  0.559100  0.569611  1
  Ta  Ta185  1  0.266252  0.922430  0.623888  1
  Ta  Ta186  1  0.265814  0.360463  0.583289  1
  Ta  Ta187  1  0.570644  0.913180  0.555661  1
  Ta  Ta188  1  0.569781  0.477798  0.606226  1
  Ta  Ta189  1  0.435718  0.203554  0.577645  1
  Ta  Ta190  1  0.438717  0.770328  0.624496  1
  Ta  Ta191  1  0.740630  0.319834  0.601161  1
  Ta  Ta192  1  0.742666  0.756639  0.553626  1
  Ta  Ta193  1  0.765704  0.102909  0.621817  1
  Ta  Ta194  1  0.766315  0.538471  0.578927  1
  Ta  Ta195  1  0.239343  0.142193  0.604026  1
  Ta  Ta196  1  0.242420  0.579647  0.560152  1
  Ta  Ta197  1  0.935961  0.255170  0.624939  1
  Ta  Ta198  1  0.939240  0.696744  0.581247  1
  Ta  Ta199  1  0.070039  0.985073  0.598088  1
  Ta  Ta200  1  0.069616  0.421903  0.556852  1
  Ta  Ta201  1  0.542146  0.943647  0.615497  1
  Ta  Ta202  1  0.538427  0.380271  0.574667  1
  Ta  Ta203  1  0.632982  0.265989  0.550325  1
  Ta  Ta204  1  0.635086  0.830465  0.594611  1
  Ta  Ta205  1  0.375723  0.850907  0.584231  1
  Ta  Ta206  1  0.373462  0.413356  0.633618  1
  Ta  Ta207  1  0.467447  0.299528  0.610233  1
  Ta  Ta208  1  0.469539  0.737731  0.562870  1
  Ta  Ta209  1  0.035284  0.082705  0.630787  1
  Ta  Ta210  1  0.039466  0.519331  0.587812  1
  Ta  Ta211  1  0.968024  0.160979  0.594517  1
  Ta  Ta212  1  0.969266  0.598825  0.551252  1
  Ta  Ta213  1  0.874140  0.047830  0.570868  1
  Ta  Ta214  1  0.876307  0.612560  0.619554  1
  Ta  Ta215  1  0.133403  0.069265  0.561122  1
  Ta  Ta216  1  0.135205  0.634154  0.609915  1
  Ta  Ta217  1  0.108063  0.872600  0.574826  1
  Ta  Ta218  1  0.106498  0.436259  0.624589  1
  Ta  Ta219  1  0.608061  0.026737  0.579655  1
  Ta  Ta220  1  0.609611  0.591486  0.629671  1
  Ta  Ta221  1  0.400032  0.090506  0.552061  1
  Ta  Ta222  1  0.401788  0.655839  0.600351  1
  Ta  Ta223  1  0.899817  0.244544  0.559071  1
  Ta  Ta224  1  0.902034  0.809981  0.604497  1
  Ta  Ta225  1  0.321981  0.970312  0.567344  1
  Ta  Ta226  1  0.321818  0.534842  0.617778  1
  Ta  Ta227  1  0.822229  0.928946  0.586593  1
  Ta  Ta228  1  0.821939  0.492340  0.637210  1
  Ta  Ta229  1  0.186191  0.251372  0.593266  1
  Ta  Ta230  1  0.187031  0.689109  0.547663  1
  Ta  Ta231  1  0.682339  0.210003  0.611164  1
  Ta  Ta232  1  0.686868  0.647626  0.566679  1
  Ta  Ta233  1  0.824849  0.993755  0.632500  1
  Ta  Ta234  1  0.821452  0.429003  0.590712  1
  Ta  Ta235  1  0.685318  0.146657  0.564547  1
  Ta  Ta236  1  0.687446  0.712692  0.611777  1
  Ta  Ta237  1  0.320664  0.034537  0.612578  1
  Ta  Ta238  1  0.321600  0.470555  0.571896  1
  Ta  Ta239  1  0.186315  0.188402  0.546694  1
  Ta  Ta240  1  0.187692  0.754219  0.593258  1
  Ta  Ta241  1  1.001702  0.465426  0.686160  1
  Ta  Ta242  1  0.005996  0.905185  0.635073  1
  Ta  Ta243  1  0.524895  0.233838  0.704365  1
  Ta  Ta244  1  0.504890  0.688203  0.660446  1
  Ta  Ta245  1  0.250811  0.019341  0.711372  1
  Ta  Ta246  1  0.263046  0.487010  0.673242  1
  Ta  Ta247  1  0.574115  0.041613  0.646729  1
  Ta  Ta248  1  0.583445  0.609507  0.697350  1
  Ta  Ta249  1  0.439604  0.324315  0.671861  1
  Ta  Ta250  1  0.437677  0.915744  0.712349  1
  Ta  Ta251  1  0.739478  0.447616  0.692598  1
  Ta  Ta252  1  0.744489  0.884483  0.644475  1
  Ta  Ta253  1  0.787293  0.245724  0.713636  1
  Ta  Ta254  1  0.768140  0.668360  0.667212  1
  Ta  Ta255  1  0.236938  0.268290  0.698125  1
  Ta  Ta256  1  0.245893  0.708744  0.650597  1
  Ta  Ta257  1  0.947160  0.360836  0.714691  1
  Ta  Ta258  1  0.941555  0.830500  0.673698  1
  Ta  Ta259  1  0.058226  0.098936  0.693027  1
  Ta  Ta260  1  0.068952  0.548869  0.649039  1
  Ta  Ta261  1  0.520797  0.055000  0.704691  1
  Ta  Ta262  1  0.540365  0.508096  0.665090  1
  Ta  Ta263  1  0.632880  0.392852  0.643399  1
  Ta  Ta264  1  0.643620  0.958491  0.681474  1
  Ta  Ta265  1  0.381211  0.977977  0.667052  1
  Ta  Ta266  1  0.386945  0.542993  0.714546  1
  Ta  Ta267  1  0.461375  0.423025  0.696646  1
  Ta  Ta268  1  0.470940  0.868933  0.654338  1
  Ta  Ta269  1  0.034085  0.197122  0.715357  1
  Ta  Ta270  1  0.043920  0.651380  0.677050  1
  Ta  Ta271  1  0.979775  0.281666  0.679804  1
  Ta  Ta272  1  0.971564  0.729690  0.641533  1
  Ta  Ta273  1  0.867450  0.174031  0.664257  1
  Ta  Ta274  1  0.868437  0.744179  0.703123  1
  Ta  Ta275  1  0.132633  0.191578  0.655355  1
  Ta  Ta276  1  0.136666  0.763802  0.694971  1
  Ta  Ta277  1  0.105329  0.998600  0.662040  1
  Ta  Ta278  1  0.113330  0.568038  0.708236  1
  Ta  Ta279  1  0.597162  0.149254  0.670542  1
  Ta  Ta280  1  0.608431  0.720990  0.712056  1
  Ta  Ta281  1  0.397385  0.215751  0.646706  1
  Ta  Ta282  1  0.403613  0.788866  0.688879  1
  Ta  Ta283  1  0.900310  0.371762  0.652234  1
  Ta  Ta284  1  0.909862  0.938454  0.689413  1
  Ta  Ta285  1  0.314253  0.092329  0.661026  1
  Ta  Ta286  1  0.322629  0.669099  0.707077  1
  Ta  Ta287  1  0.813017  0.056232  0.679589  1
  Ta  Ta288  1  0.850819  0.640368  0.721616  1
  Ta  Ta289  1  0.183354  0.381203  0.684036  1
  Ta  Ta290  1  0.188855  0.819034  0.639833  1
  Ta  Ta291  1  0.686413  0.342821  0.700114  1
  Ta  Ta292  1  0.686527  0.778476  0.657515  1
  Ta  Ta293  1  0.762020  0.138875  0.716712  1
  Ta  Ta294  1  0.827377  0.561447  0.680962  1
  Ta  Ta295  1  0.686184  0.272001  0.657978  1
  Ta  Ta296  1  0.678524  0.846723  0.701741  1
  Ta  Ta297  1  0.318693  0.154495  0.705823  1
  Ta  Ta298  1  0.324753  0.599969  0.663109  1
  Ta  Ta299  1  0.188778  0.313661  0.640296  1
  Ta  Ta300  1  0.196028  0.892468  0.684845  1
