# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87911071
_cell_length_b   25.10025344
_cell_length_c   51.56615129
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.05638317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta264
_cell_volume   10198.1129418
_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  0.896386  0.208344  0.341785  1
  Ta  Ta2  1  0.924160  0.750333  0.304373  1
  Ta  Ta3  1  0.456251  0.513890  0.285670  1
  Ta  Ta4  1  0.426002  0.984760  0.313513  1
  Ta  Ta5  1  0.737661  0.421346  0.297621  1
  Ta  Ta6  1  0.843754  0.863671  0.338069  1
  Ta  Ta7  1  0.054365  0.662827  0.278747  1
  Ta  Ta8  1  0.011121  0.126231  0.311165  1
  Ta  Ta9  1  0.631331  0.369674  0.340070  1
  Ta  Ta10  1  0.711707  0.927034  0.300014  1
  Ta  Ta11  1  0.134167  0.568625  0.297462  1
  Ta  Ta12  1  0.157034  0.043089  0.337518  1
  Ta  Ta13  1  0.632830  0.157449  0.322442  1
  Ta  Ta14  1  0.663075  0.691912  0.281766  1
  Ta  Ta15  1  0.078892  0.362613  0.288023  1
  Ta  Ta16  1  0.158966  0.819654  0.326423  1
  Ta  Ta17  1  0.445596  0.621481  0.307782  1
  Ta  Ta18  1  0.492566  0.068250  0.347209  1
  Ta  Ta19  1  0.346009  0.314979  0.327146  1
  Ta  Ta20  1  0.364109  0.869369  0.286910  1
  Ta  Ta21  1  0.023530  0.470674  0.317892  1
  Ta  Ta22  1  0.055194  0.024380  0.286818  1
  Ta  Ta23  1  0.639925  0.497588  0.332744  1
  Ta  Ta24  1  0.708079  0.064602  0.296622  1
  Ta  Ta25  1  0.033203  0.367110  0.339434  1
  Ta  Ta26  1  0.107670  0.930947  0.310395  1
  Ta  Ta27  1  0.778730  0.561405  0.294715  1
  Ta  Ta28  1  0.836429  1.001651  0.332792  1
  Ta  Ta29  1  0.296047  0.180377  0.336435  1
  Ta  Ta30  1  0.320155  0.743584  0.297037  1
  Ta  Ta31  1  0.471312  0.342027  0.282019  1
  Ta  Ta32  1  0.611747  0.802437  0.313159  1
  Ta  Ta33  1  0.106418  0.252876  0.303131  1
  Ta  Ta34  1  0.165831  0.675786  0.333209  1
  Ta  Ta35  1  0.463264  0.229277  0.293953  1
  Ta  Ta36  1  0.579167  0.704618  0.337910  1
  Ta  Ta37  1  0.318833  0.535726  0.338292  1
  Ta  Ta38  1  0.356437  0.102544  0.296498  1
  Ta  Ta39  1  0.344745  0.427714  0.310304  1
  Ta  Ta40  1  0.427574  0.881870  0.339971  1
  Ta  Ta41  1  0.764054  0.293593  0.310777  1
  Ta  Ta42  1  0.965307  0.846878  0.283283  1
  Ta  Ta43  1  0.807718  0.191946  0.282093  1
  Ta  Ta44  1  0.844038  0.647873  0.321096  1
  Ta  Ta45  1  0.891444  0.099513  0.417460  1
  Ta  Ta46  1  0.896755  0.648967  0.378377  1
  Ta  Ta47  1  0.378455  0.421759  0.360933  1
  Ta  Ta48  1  0.397671  0.873859  0.395061  1
  Ta  Ta49  1  0.813847  0.311300  0.376390  1
  Ta  Ta50  1  0.831237  0.760281  0.414936  1
  Ta  Ta51  1  0.980726  0.563095  0.347610  1
  Ta  Ta52  1  -0.003058  1.015340  0.387347  1
  Ta  Ta53  1  0.638765  0.260870  0.416214  1
  Ta  Ta54  1  0.650186  0.812853  0.375408  1
  Ta  Ta55  1  0.121762  0.479622  0.374290  1
  Ta  Ta56  1  0.147075  0.936224  0.416435  1
  Ta  Ta57  1  0.646014  0.039302  0.394820  1
  Ta  Ta58  1  0.628618  0.595334  0.355158  1
  Ta  Ta59  1  0.139901  0.265426  0.363840  1
  Ta  Ta60  1  0.144814  0.711187  0.399016  1
  Ta  Ta61  1  0.474254  0.513348  0.387412  1
  Ta  Ta62  1  0.490531  0.960935  0.424788  1
  Ta  Ta63  1  0.327717  0.211587  0.400956  1
  Ta  Ta64  1  0.340582  0.764277  0.360111  1
  Ta  Ta65  1  0.069236  0.372493  0.396414  1
  Ta  Ta66  1  0.079524  0.924707  0.360775  1
  Ta  Ta67  1  0.644730  0.396850  0.405893  1
  Ta  Ta68  1  0.660794  0.945085  0.364845  1
  Ta  Ta69  1  0.072813  0.275687  0.421426  1
  Ta  Ta70  1  0.078629  0.825836  0.382952  1
  Ta  Ta71  1  0.810296  0.442818  0.366882  1
  Ta  Ta72  1  0.823378  0.897306  0.404636  1
  Ta  Ta73  1  0.323294  0.073430  0.409819  1
  Ta  Ta74  1  0.320640  0.629422  0.372399  1
  Ta  Ta75  1  0.559118  0.248748  0.354844  1
  Ta  Ta76  1  0.580409  0.697661  0.392997  1
  Ta  Ta77  1  0.149816  0.130140  0.374392  1
  Ta  Ta78  1  0.149900  0.572517  0.409052  1
  Ta  Ta79  1  0.575022  0.151444  0.379640  1
  Ta  Ta80  1  0.576648  0.599452  0.416521  1
  Ta  Ta81  1  0.322231  0.435499  0.417218  1
  Ta  Ta82  1  0.345225  0.983607  0.372914  1
  Ta  Ta83  1  0.397860  0.325617  0.384536  1
  Ta  Ta84  1  0.397863  0.775182  0.419379  1
  Ta  Ta85  1  0.891050  0.198368  0.395264  1
  Ta  Ta86  1  0.903575  0.748508  0.355985  1
  Ta  Ta87  1  0.840041  0.098115  0.356581  1
  Ta  Ta88  1  0.823811  0.538659  0.395269  1
  Ta  Ta89  1  0.893637  0.996080  0.494147  1
  Ta  Ta90  1  0.895162  0.547463  0.455638  1
  Ta  Ta91  1  0.392414  0.322680  0.437219  1
  Ta  Ta92  1  0.395535  0.770439  0.473639  1
  Ta  Ta93  1  0.828237  0.209955  0.454497  1
  Ta  Ta94  1  0.827895  0.658312  0.492097  1
  Ta  Ta95  1  0.978724  0.460618  0.425834  1
  Ta  Ta96  1  -0.012297  0.909740  0.464463  1
  Ta  Ta97  1  0.641303  0.159104  0.492884  1
  Ta  Ta98  1  0.641713  0.708829  0.452963  1
  Ta  Ta99  1  0.131876  0.381566  0.455318  1
  Ta  Ta100  1  0.137606  0.829896  0.493407  1
  Ta  Ta101  1  0.638344  0.936852  0.473746  1
  Ta  Ta102  1  0.632041  0.490676  0.436217  1
  Ta  Ta103  1  0.141044  0.159398  0.438574  1
  Ta  Ta104  1  0.140098  0.609229  0.476858  1
  Ta  Ta105  1  0.482156  0.410623  0.465634  1
  Ta  Ta106  1  0.484550  0.857541  0.503077  1
  Ta  Ta107  1  0.331197  0.109082  0.476924  1
  Ta  Ta108  1  0.327980  0.659190  0.437388  1
  Ta  Ta109  1  0.074613  0.271517  0.475255  1
  Ta  Ta110  1  0.077496  0.822201  0.435661  1
  Ta  Ta111  1  0.651009  0.293647  0.482012  1
  Ta  Ta112  1  0.654376  0.843621  0.441780  1
  Ta  Ta113  1  0.076440  0.172871  0.498051  1
  Ta  Ta114  1  0.077055  0.723286  0.458502  1
  Ta  Ta115  1  0.815037  0.344264  0.443287  1
  Ta  Ta116  1  0.818377  0.792435  0.480531  1
  Ta  Ta117  1  0.318474  0.972866  0.486725  1
  Ta  Ta118  1  0.315901  0.527395  0.449910  1
  Ta  Ta119  1  0.575139  0.145622  0.433275  1
  Ta  Ta120  1  0.576344  0.594941  0.471168  1
  Ta  Ta121  1  0.152311  0.027688  0.449731  1
  Ta  Ta122  1  0.151990  0.473629  0.487883  1
  Ta  Ta123  1  0.575221  0.047031  0.455327  1
  Ta  Ta124  1  0.575332  0.497018  0.495061  1
  Ta  Ta125  1  0.332255  0.331216  0.494756  1
  Ta  Ta126  1  0.337970  0.880571  0.453886  1
  Ta  Ta127  1  0.392659  0.223860  0.459786  1
  Ta  Ta128  1  0.394912  0.672591  0.497406  1
  Ta  Ta129  1  0.891689  0.095190  0.471609  1
  Ta  Ta130  1  0.896704  0.644871  0.432206  1
  Ta  Ta131  1  0.837625  0.990507  0.435691  1
  Ta  Ta132  1  0.831252  0.437820  0.475050  1
  Ta  Ta133  1  0.891912  0.893663  0.570377  1
  Ta  Ta134  1  0.895701  0.445714  0.534052  1
  Ta  Ta135  1  0.393918  0.220260  0.513505  1
  Ta  Ta136  1  0.395280  0.668668  0.552015  1
  Ta  Ta137  1  0.831140  0.107285  0.530738  1
  Ta  Ta138  1  0.828144  0.556962  0.570241  1
  Ta  Ta139  1  0.984726  0.358712  0.504562  1
  Ta  Ta140  1  0.981983  0.805632  0.541983  1
  Ta  Ta141  1  0.640931  0.056954  0.569084  1
  Ta  Ta142  1  0.640146  0.606920  0.530758  1
  Ta  Ta143  1  0.138656  0.279538  0.533902  1
  Ta  Ta144  1  0.132371  0.725708  0.571491  1
  Ta  Ta145  1  0.631449  0.834846  0.552298  1
  Ta  Ta146  1  0.637533  0.386453  0.514300  1
  Ta  Ta147  1  0.141227  0.057247  0.514768  1
  Ta  Ta148  1  0.142000  0.507339  0.554689  1
  Ta  Ta149  1  0.487885  0.306530  0.543213  1
  Ta  Ta150  1  0.478534  0.755619  0.581764  1
  Ta  Ta151  1  0.328109  1.006392  0.553143  1
  Ta  Ta152  1  0.327939  0.557848  0.515537  1
  Ta  Ta153  1  0.075360  0.169314  0.552320  1
  Ta  Ta154  1  0.075328  0.719184  0.512575  1
  Ta  Ta155  1  0.652699  0.188824  0.557957  1
  Ta  Ta156  1  0.652148  0.742619  0.519846  1
  Ta  Ta157  1  0.075257  0.070710  0.574380  1
  Ta  Ta158  1  0.076659  0.621252  0.536430  1
  Ta  Ta159  1  0.818822  0.243366  0.520831  1
  Ta  Ta160  1  0.816408  0.688593  0.557685  1
  Ta  Ta161  1  0.314630  0.871995  0.564171  1
  Ta  Ta162  1  0.318231  0.423614  0.527133  1
  Ta  Ta163  1  0.576161  0.043493  0.509590  1
  Ta  Ta164  1  0.577048  0.492875  0.549129  1
  Ta  Ta165  1  0.150392  0.922890  0.525609  1
  Ta  Ta166  1  0.154401  0.372587  0.565973  1
  Ta  Ta167  1  0.574369  0.944841  0.532341  1
  Ta  Ta168  1  0.577752  0.394008  0.572041  1
  Ta  Ta169  1  0.337830  0.225768  0.571973  1
  Ta  Ta170  1  0.331349  0.778222  0.532570  1
  Ta  Ta171  1  0.391869  0.121167  0.536067  1
  Ta  Ta172  1  0.397366  0.571253  0.575443  1
  Ta  Ta173  1  0.892278  0.992501  0.547862  1
  Ta  Ta174  1  0.894830  0.543545  0.510247  1
  Ta  Ta175  1  0.831856  0.884982  0.512842  1
  Ta  Ta176  1  0.837934  0.335513  0.553767  1
  Ta  Ta177  1  0.878928  0.794469  0.646563  1
  Ta  Ta178  1  0.897961  0.342363  0.612664  1
  Ta  Ta179  1  0.391592  0.116819  0.590227  1
  Ta  Ta180  1  0.397386  0.567164  0.629273  1
  Ta  Ta181  1  0.827490  1.004724  0.606686  1
  Ta  Ta182  1  0.840830  0.452092  0.647600  1
  Ta  Ta183  1  -0.009384  0.255334  0.582891  1
  Ta  Ta184  1  0.974148  0.702821  0.620126  1
  Ta  Ta185  1  0.639628  0.950820  0.643768  1
  Ta  Ta186  1  0.645033  0.504893  0.608610  1
  Ta  Ta187  1  0.146169  0.177039  0.612861  1
  Ta  Ta188  1  0.128904  0.620867  0.652397  1
  Ta  Ta189  1  0.621050  0.737105  0.633432  1
  Ta  Ta190  1  0.646983  0.280158  0.591327  1
  Ta  Ta191  1  0.138487  0.955417  0.591408  1
  Ta  Ta192  1  0.150458  0.403454  0.632327  1
  Ta  Ta193  1  0.496979  0.200955  0.620371  1
  Ta  Ta194  1  0.480649  0.653188  0.659970  1
  Ta  Ta195  1  0.313193  0.904904  0.631227  1
  Ta  Ta196  1  0.331534  0.455859  0.592748  1
  Ta  Ta197  1  0.074975  0.064804  0.628029  1
  Ta  Ta198  1  0.077057  0.616685  0.591034  1
  Ta  Ta199  1  0.649908  0.086234  0.633327  1
  Ta  Ta200  1  0.650515  0.643907  0.598685  1
  Ta  Ta201  1  0.058785  0.967362  0.652798  1
  Ta  Ta202  1  0.081197  0.518507  0.614625  1
  Ta  Ta203  1  0.823417  0.142768  0.597805  1
  Ta  Ta204  1  0.821637  0.586412  0.635041  1
  Ta  Ta205  1  0.308242  0.773134  0.640345  1
  Ta  Ta206  1  0.323444  0.318880  0.603115  1
  Ta  Ta207  1  0.572281  0.940671  0.586177  1
  Ta  Ta208  1  0.578892  0.390378  0.624778  1
  Ta  Ta209  1  0.143831  0.819826  0.601576  1
  Ta  Ta210  1  0.160671  0.271191  0.642927  1
  Ta  Ta211  1  0.568762  0.843849  0.611113  1
  Ta  Ta212  1  0.580046  0.291517  0.647034  1
  Ta  Ta213  1  0.339953  0.118148  0.651117  1
  Ta  Ta214  1  0.324384  0.677164  0.612273  1
  Ta  Ta215  1  0.390950  1.017931  0.612396  1
  Ta  Ta216  1  0.404499  0.467784  0.651760  1
  Ta  Ta217  1  0.897181  0.890627  0.623083  1
  Ta  Ta218  1  0.898110  0.440989  0.588319  1
  Ta  Ta219  1  0.821648  0.780598  0.590323  1
  Ta  Ta220  1  0.845223  0.232498  0.634718  1
  Ta  Ta221  1  0.959517  0.702386  0.722278  1
  Ta  Ta222  1  0.925778  0.231505  0.694168  1
  Ta  Ta223  1  0.395996  1.007785  0.665850  1
  Ta  Ta224  1  0.425405  0.466337  0.703364  1
  Ta  Ta225  1  0.845685  0.900824  0.680427  1
  Ta  Ta226  1  0.864239  0.347114  0.720788  1
  Ta  Ta227  1  -0.007515  0.147970  0.660480  1
  Ta  Ta228  1  0.946313  0.595172  0.699888  1
  Ta  Ta229  1  0.577436  0.853322  0.719472  1
  Ta  Ta230  1  0.659328  0.396645  0.681324  1
  Ta  Ta231  1  0.132587  0.058658  0.685226  1
  Ta  Ta232  1  0.164160  0.524735  0.725877  1
  Ta  Ta233  1  0.635585  0.649286  0.710257  1
  Ta  Ta234  1  0.656837  0.173222  0.670219  1
  Ta  Ta235  1  0.131468  0.846130  0.667624  1
  Ta  Ta236  1  0.211272  0.289394  0.707672  1
  Ta  Ta237  1  0.511118  0.089833  0.696478  1
  Ta  Ta238  1  0.556322  0.554451  0.728709  1
  Ta  Ta239  1  0.235768  0.794801  0.710217  1
  Ta  Ta240  1  0.344045  0.352646  0.669641  1
  Ta  Ta241  1  0.962850  0.986536  0.713655  1
  Ta  Ta242  1  0.079902  0.511791  0.669753  1
  Ta  Ta243  1  0.605927  0.963053  0.704417  1
  Ta  Ta244  1  0.666935  0.541198  0.674469  1
  Ta  Ta245  1  0.969393  0.873345  0.725526  1
  Ta  Ta246  1  0.112407  0.414047  0.694534  1
  Ta  Ta247  1  0.795944  0.035681  0.671205  1
  Ta  Ta248  1  0.820840  0.473025  0.710594  1
  Ta  Ta249  1  0.279910  0.654936  0.712952  1
  Ta  Ta250  1  0.336468  0.214678  0.674944  1
  Ta  Ta251  1  0.532589  0.849156  0.668031  1
  Ta  Ta252  1  0.607275  0.285356  0.697468  1
  Ta  Ta253  1  0.138885  0.718449  0.674893  1
  Ta  Ta254  1  0.208189  0.151549  0.711033  1
  Ta  Ta255  1  0.518989  0.745957  0.689346  1
  Ta  Ta256  1  0.555810  0.191558  0.720899  1
  Ta  Ta257  1  0.307588  0.024062  0.725523  1
  Ta  Ta258  1  0.344847  0.568626  0.686527  1
  Ta  Ta259  1  0.263072  0.922421  0.696880  1
  Ta  Ta260  1  0.465151  0.369654  0.724408  1
  Ta  Ta261  1  0.841651  0.787311  0.697170  1
  Ta  Ta262  1  0.927613  0.334434  0.667750  1
  Ta  Ta263  1  0.818138  0.680176  0.669095  1
  Ta  Ta264  1  0.856426  0.113515  0.711136  1
