# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.47502571
_cell_length_b   11.41122823
_cell_length_c   46.04341031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.79871898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta220
_cell_volume   8595.30509199
_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  0.319924  0.220142  0.336945  1
  Ta  Ta2  1  0.792690  0.309270  0.293492  1
  Ta  Ta3  1  0.536497  0.771731  0.309813  1
  Ta  Ta4  1  0.095030  0.680560  0.361366  1
  Ta  Ta5  1  0.797805  0.932008  0.362279  1
  Ta  Ta6  1  0.258976  1.004310  0.317907  1
  Ta  Ta7  1  0.367058  0.499550  0.363631  1
  Ta  Ta8  1  0.856186  0.585245  0.315845  1
  Ta  Ta9  1  0.689261  0.928128  0.317742  1
  Ta  Ta10  1  0.221197  0.848989  0.361299  1
  Ta  Ta11  1  0.400731  0.604874  0.309145  1
  Ta  Ta12  1  0.965822  0.513201  0.355554  1
  Ta  Ta13  1  0.704871  0.462380  0.321722  1
  Ta  Ta14  1  0.153778  0.495644  0.281789  1
  Ta  Ta15  1  0.442872  0.139257  0.308832  1
  Ta  Ta16  1  0.961501  1.016965  0.353141  1
  Ta  Ta17  1  0.555076  0.523241  0.288090  1
  Ta  Ta18  1  0.095678  0.410543  0.332374  1
  Ta  Ta19  1  0.529737  0.966403  0.341082  1
  Ta  Ta20  1  -0.004762  0.028629  0.296811  1
  Ta  Ta21  1  0.398519  0.910612  0.295750  1
  Ta  Ta22  1  0.954177  0.786861  0.337451  1
  Ta  Ta23  1  0.759019  0.706498  0.348844  1
  Ta  Ta24  1  0.231137  0.756409  0.301486  1
  Ta  Ta25  1  0.364179  0.783912  0.343890  1
  Ta  Ta26  1  0.841469  0.857373  0.304041  1
  Ta  Ta27  1  0.688547  0.693412  0.298553  1
  Ta  Ta28  1  0.223836  0.580164  0.337212  1
  Ta  Ta29  1  0.467301  0.376012  0.336430  1
  Ta  Ta30  1  0.961761  0.431342  0.294788  1
  Ta  Ta31  1  0.589825  0.289071  0.307455  1
  Ta  Ta32  1  0.118538  0.124772  0.352507  1
  Ta  Ta33  1  0.424821  0.353281  0.281373  1
  Ta  Ta34  1  0.970976  0.236682  0.324596  1
  Ta  Ta35  1  0.694952  0.166423  0.340200  1
  Ta  Ta36  1  0.152614  0.218142  0.301367  1
  Ta  Ta37  1  0.579472  0.565598  0.344726  1
  Ta  Ta38  1  0.054693  0.646191  0.305883  1
  Ta  Ta39  1  0.580447  0.049042  0.289997  1
  Ta  Ta40  1  0.102287  0.903063  0.322637  1
  Ta  Ta41  1  0.306834  0.162937  0.276911  1
  Ta  Ta42  1  0.833057  0.095288  0.315584  1
  Ta  Ta43  1  0.283542  0.403736  0.306654  1
  Ta  Ta44  1  0.837943  0.341045  0.348332  1
  Ta  Ta45  1  0.396714  0.071418  0.428170  1
  Ta  Ta46  1  0.857960  0.147656  0.381395  1
  Ta  Ta47  1  0.629434  0.604126  0.403338  1
  Ta  Ta48  1  0.161766  0.529687  0.452384  1
  Ta  Ta49  1  0.866642  0.775000  0.455315  1
  Ta  Ta50  1  0.332253  0.854280  0.409373  1
  Ta  Ta51  1  0.444899  0.345173  0.454015  1
  Ta  Ta52  1  0.910370  0.420332  0.409525  1
  Ta  Ta53  1  0.755416  0.778168  0.408658  1
  Ta  Ta54  1  0.291444  0.697197  0.455203  1
  Ta  Ta55  1  0.496854  0.437821  0.399766  1
  Ta  Ta56  1  0.032767  0.359293  0.447034  1
  Ta  Ta57  1  0.753620  0.275242  0.409567  1
  Ta  Ta58  1  0.217606  0.344613  0.366185  1
  Ta  Ta59  1  0.496913  0.934688  0.398644  1
  Ta  Ta60  1  0.033315  0.866211  0.446466  1
  Ta  Ta61  1  0.634417  0.350550  0.371931  1
  Ta  Ta62  1  0.167439  0.260661  0.420804  1
  Ta  Ta63  1  0.599536  0.810108  0.430602  1
  Ta  Ta64  1  0.066941  0.889881  0.386023  1
  Ta  Ta65  1  0.477532  0.699851  0.375118  1
  Ta  Ta66  1  0.013844  0.635519  0.424186  1
  Ta  Ta67  1  0.806515  0.552503  0.437288  1
  Ta  Ta68  1  0.270839  0.631895  0.392848  1
  Ta  Ta69  1  0.431609  0.631259  0.430302  1
  Ta  Ta70  1  0.899036  0.699741  0.387712  1
  Ta  Ta71  1  0.771125  0.511086  0.379247  1
  Ta  Ta72  1  0.298051  0.436783  0.425062  1
  Ta  Ta73  1  0.551276  0.208739  0.424199  1
  Ta  Ta74  1  0.014673  0.282594  0.381262  1
  Ta  Ta75  1  0.657018  0.046549  0.391887  1
  Ta  Ta76  1  0.189377  0.988653  0.444352  1
  Ta  Ta77  1  0.509992  0.176343  0.365161  1
  Ta  Ta78  1  0.038923  0.091473  0.414731  1
  Ta  Ta79  1  0.769756  1.003740  0.434583  1
  Ta  Ta80  1  0.235798  0.070107  0.389960  1
  Ta  Ta81  1  0.650675  0.412865  0.438088  1
  Ta  Ta82  1  0.116555  0.486711  0.395020  1
  Ta  Ta83  1  0.628760  0.810617  0.365238  1
  Ta  Ta84  1  0.166637  0.764112  0.418849  1
  Ta  Ta85  1  0.374978  1.015459  0.361090  1
  Ta  Ta86  1  0.907785  0.929539  0.408444  1
  Ta  Ta87  1  0.367130  0.261828  0.394838  1
  Ta  Ta88  1  0.901434  0.186012  0.440410  1
  Ta  Ta89  1  0.462861  0.918203  0.519877  1
  Ta  Ta90  1  0.928330  0.994542  0.474176  1
  Ta  Ta91  1  0.695288  0.453625  0.496001  1
  Ta  Ta92  1  0.228262  0.377559  0.544481  1
  Ta  Ta93  1  0.936410  0.620315  0.547500  1
  Ta  Ta94  1  0.401764  0.697830  0.501285  1
  Ta  Ta95  1  0.511878  0.194442  0.545481  1
  Ta  Ta96  1  0.978654  0.269528  0.501039  1
  Ta  Ta97  1  0.825263  0.619453  0.500937  1
  Ta  Ta98  1  0.360402  0.539350  0.546964  1
  Ta  Ta99  1  0.567012  0.283707  0.490931  1
  Ta  Ta100  1  0.101197  0.206566  0.538113  1
  Ta  Ta101  1  0.824331  0.125404  0.501729  1
  Ta  Ta102  1  0.291597  0.201150  0.457009  1
  Ta  Ta103  1  0.567835  0.788784  0.491474  1
  Ta  Ta104  1  0.103536  0.713805  0.539335  1
  Ta  Ta105  1  0.702058  0.188828  0.464646  1
  Ta  Ta106  1  0.236163  0.111632  0.511526  1
  Ta  Ta107  1  0.668331  0.658637  0.523629  1
  Ta  Ta108  1  0.134789  0.736689  0.479136  1
  Ta  Ta109  1  0.545081  0.559609  0.467073  1
  Ta  Ta110  1  0.080108  0.485409  0.515218  1
  Ta  Ta111  1  0.874684  0.400708  0.528549  1
  Ta  Ta112  1  0.340834  0.477674  0.482575  1
  Ta  Ta113  1  0.498924  0.473546  0.520932  1
  Ta  Ta114  1  0.965559  0.548698  0.477221  1
  Ta  Ta115  1  0.833166  0.360580  0.470272  1
  Ta  Ta116  1  0.366572  0.285461  0.516088  1
  Ta  Ta117  1  0.617459  0.058162  0.516575  1
  Ta  Ta118  1  0.083359  0.133912  0.472783  1
  Ta  Ta119  1  0.723664  0.908863  0.487474  1
  Ta  Ta120  1  0.257348  0.836191  0.535099  1
  Ta  Ta121  1  0.575663  1.017429  0.457888  1
  Ta  Ta122  1  0.107557  0.941841  0.506610  1
  Ta  Ta123  1  0.837662  0.846093  0.525961  1
  Ta  Ta124  1  0.303914  0.922225  0.481324  1
  Ta  Ta125  1  0.719461  0.261526  0.529893  1
  Ta  Ta126  1  0.186045  0.336886  0.485976  1
  Ta  Ta127  1  0.699182  0.680647  0.463244  1
  Ta  Ta128  1  0.235774  0.606439  0.511144  1
  Ta  Ta129  1  0.442998  0.857028  0.455971  1
  Ta  Ta130  1  0.977626  0.776075  0.501810  1
  Ta  Ta131  1  0.436844  0.110079  0.486409  1
  Ta  Ta132  1  0.970000  0.033976  0.532542  1
  Ta  Ta133  1  0.530845  0.765673  0.609948  1
  Ta  Ta134  1  -0.003070  0.842015  0.565822  1
  Ta  Ta135  1  0.763994  0.304404  0.587909  1
  Ta  Ta136  1  0.296292  0.219039  0.636319  1
  Ta  Ta137  1  0.006289  0.463623  0.640337  1
  Ta  Ta138  1  0.470937  0.542370  0.593286  1
  Ta  Ta139  1  0.584781  0.050553  0.636408  1
  Ta  Ta140  1  0.048795  0.118721  0.592856  1
  Ta  Ta141  1  0.895308  0.466371  0.593950  1
  Ta  Ta142  1  0.429290  0.382950  0.641604  1
  Ta  Ta143  1  0.635645  0.134878  0.581881  1
  Ta  Ta144  1  0.168355  0.049730  0.631089  1
  Ta  Ta145  1  0.892878  0.973439  0.593413  1
  Ta  Ta146  1  0.358447  0.050053  0.548414  1
  Ta  Ta147  1  0.636854  0.632876  0.584263  1
  Ta  Ta148  1  0.176361  0.581311  0.636203  1
  Ta  Ta149  1  0.770537  0.035451  0.555769  1
  Ta  Ta150  1  0.305575  0.958583  0.602876  1
  Ta  Ta151  1  0.737130  0.506632  0.616890  1
  Ta  Ta152  1  0.203880  0.584115  0.571790  1
  Ta  Ta153  1  0.613169  0.408081  0.558222  1
  Ta  Ta154  1  0.146986  0.344313  0.610100  1
  Ta  Ta155  1  0.944156  0.247393  0.620750  1
  Ta  Ta156  1  0.407301  0.324531  0.574337  1
  Ta  Ta157  1  0.567833  0.326677  0.612690  1
  Ta  Ta158  1  0.033482  0.391897  0.568132  1
  Ta  Ta159  1  0.901482  0.209039  0.562123  1
  Ta  Ta160  1  0.435821  0.134066  0.607720  1
  Ta  Ta161  1  0.686700  0.907660  0.607721  1
  Ta  Ta162  1  0.152321  0.982226  0.564529  1
  Ta  Ta163  1  0.790961  0.757826  0.579168  1
  Ta  Ta164  1  0.327314  0.692358  0.625768  1
  Ta  Ta165  1  0.641715  0.865627  0.550370  1
  Ta  Ta166  1  0.174412  0.790744  0.598759  1
  Ta  Ta167  1  0.905185  0.694018  0.616579  1
  Ta  Ta168  1  0.371981  0.767254  0.571387  1
  Ta  Ta169  1  0.788125  0.111728  0.621009  1
  Ta  Ta170  1  0.252302  0.185935  0.578023  1
  Ta  Ta171  1  0.769238  0.528689  0.556078  1
  Ta  Ta172  1  0.306080  0.457239  0.604100  1
  Ta  Ta173  1  0.512273  0.698190  0.547460  1
  Ta  Ta174  1  0.047759  0.617820  0.594142  1
  Ta  Ta175  1  0.504876  0.959484  0.577537  1
  Ta  Ta176  1  0.034792  0.882263  0.624038  1
  Ta  Ta177  1  0.575372  0.639340  0.700840  1
  Ta  Ta178  1  0.049548  0.688149  0.654959  1
  Ta  Ta179  1  0.828309  0.154315  0.677776  1
  Ta  Ta180  1  0.378645  0.049930  0.721538  1
  Ta  Ta181  1  0.080439  0.301827  0.724982  1
  Ta  Ta182  1  0.546531  0.390454  0.684296  1
  Ta  Ta183  1  0.647996  0.898541  0.720514  1
  Ta  Ta184  1  0.107769  0.942230  0.681884  1
  Ta  Ta185  1  0.963022  0.297169  0.684709  1
  Ta  Ta186  1  0.498922  0.236552  0.726071  1
  Ta  Ta187  1  0.706316  0.981463  0.669903  1
  Ta  Ta188  1  0.248909  0.881360  0.713511  1
  Ta  Ta189  1  0.952052  0.810172  0.687256  1
  Ta  Ta190  1  0.432263  0.899464  0.639762  1
  Ta  Ta191  1  0.702291  0.492292  0.679474  1
  Ta  Ta192  1  0.240950  0.383625  0.718319  1
  Ta  Ta193  1  0.838938  0.880110  0.647741  1
  Ta  Ta194  1  0.403919  0.794699  0.693912  1
  Ta  Ta195  1  0.807361  0.364108  0.705805  1
  Ta  Ta196  1  0.273597  0.424272  0.662619  1
  Ta  Ta197  1  0.684490  0.269113  0.649861  1
  Ta  Ta198  1  0.210097  0.139314  0.698720  1
  Ta  Ta199  1  0.003876  0.081512  0.709168  1
  Ta  Ta200  1  0.481415  0.175333  0.665555  1
  Ta  Ta201  1  0.649937  0.175680  0.701021  1
  Ta  Ta202  1  0.106756  0.236337  0.663369  1
  Ta  Ta203  1  0.965885  0.052981  0.653755  1
  Ta  Ta204  1  0.518661  0.994319  0.696210  1
  Ta  Ta205  1  0.748877  0.747343  0.697040  1
  Ta  Ta206  1  0.224866  0.822845  0.656766  1
  Ta  Ta207  1  0.855468  0.605380  0.667936  1
  Ta  Ta208  1  0.412658  0.492820  0.707061  1
  Ta  Ta209  1  0.708818  0.714966  0.641786  1
  Ta  Ta210  1  0.270309  0.630019  0.691317  1
  Ta  Ta211  1  0.970926  0.526477  0.701428  1
  Ta  Ta212  1  0.439641  0.615319  0.658524  1
  Ta  Ta213  1  0.839939  0.959975  0.707652  1
  Ta  Ta214  1  0.326476  0.022300  0.667634  1
  Ta  Ta215  1  0.841204  0.378888  0.649202  1
  Ta  Ta216  1  0.363084  0.264405  0.694321  1
  Ta  Ta217  1  0.581886  0.548386  0.641551  1
  Ta  Ta218  1  0.120420  0.469870  0.684775  1
  Ta  Ta219  1  0.577429  0.816216  0.665466  1
  Ta  Ta220  1  0.119228  0.703118  0.705406  1
