# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.45576284
_cell_length_b   11.44754385
_cell_length_c   46.09761722
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.87227386
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta220
_cell_volume   8621.39019203
_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  0.734437  0.241907  0.303118  1
  Ta  Ta2  1  0.255814  0.198525  0.350057  1
  Ta  Ta3  1  0.479489  0.735189  0.327917  1
  Ta  Ta4  1  0.929839  0.837528  0.283653  1
  Ta  Ta5  1  0.656023  0.984131  0.283086  1
  Ta  Ta6  1  0.199352  0.941763  0.324391  1
  Ta  Ta7  1  0.760083  0.498540  0.320895  1
  Ta  Ta8  1  0.223159  0.587414  0.279998  1
  Ta  Ta9  1  0.603640  0.907580  0.335798  1
  Ta  Ta10  1  0.061416  1.003446  0.290994  1
  Ta  Ta11  1  0.345131  0.589781  0.319924  1
  Ta  Ta12  1  0.804960  0.653451  0.277545  1
  Ta  Ta13  1  0.605355  0.388304  0.325533  1
  Ta  Ta14  1  0.061756  0.492277  0.283278  1
  Ta  Ta15  1  0.356952  0.076244  0.318274  1
  Ta  Ta16  1  0.877525  0.987539  0.366362  1
  Ta  Ta17  1  0.503715  0.522045  0.299451  1
  Ta  Ta18  1  0.039271  0.469914  0.341501  1
  Ta  Ta19  1  0.469156  1.006385  0.358712  1
  Ta  Ta20  1  0.907437  0.091372  0.312110  1
  Ta  Ta21  1  0.302783  0.806426  0.296085  1
  Ta  Ta22  1  0.825156  0.714002  0.339958  1
  Ta  Ta23  1  0.626047  0.619129  0.355481  1
  Ta  Ta24  1  0.097436  0.740591  0.307311  1
  Ta  Ta25  1  0.342155  0.834797  0.351922  1
  Ta  Ta26  1  0.788524  0.894721  0.309318  1
  Ta  Ta27  1  0.656206  0.711973  0.304178  1
  Ta  Ta28  1  0.203679  0.651351  0.344125  1
  Ta  Ta29  1  0.450624  0.283098  0.340260  1
  Ta  Ta30  1  0.895599  0.386971  0.298696  1
  Ta  Ta31  1  0.558597  0.138443  0.309037  1
  Ta  Ta32  1  0.082909  0.065716  0.349143  1
  Ta  Ta33  1  0.341710  0.357995  0.303436  1
  Ta  Ta34  1  0.873681  0.272480  0.348269  1
  Ta  Ta35  1  0.597791  0.171209  0.364965  1
  Ta  Ta36  1  0.040781  0.255193  0.314878  1
  Ta  Ta37  1  0.469187  0.511569  0.356447  1
  Ta  Ta38  1  0.941620  0.619541  0.310064  1
  Ta  Ta39  1  0.467848  0.925192  0.296317  1
  Ta  Ta40  1  0.981517  0.864166  0.338268  1
  Ta  Ta41  1  0.731196  0.074444  0.340431  1
  Ta  Ta42  1  0.195060  0.175676  0.297629  1
  Ta  Ta43  1  0.728182  0.335159  0.363332  1
  Ta  Ta44  1  0.189816  0.412754  0.318974  1
  Ta  Ta45  1  0.779750  0.120199  0.395799  1
  Ta  Ta46  1  0.313544  0.043244  0.439792  1
  Ta  Ta47  1  0.546652  0.583974  0.417400  1
  Ta  Ta48  1  0.013057  0.669900  0.369555  1
  Ta  Ta49  1  0.723713  0.836810  0.369894  1
  Ta  Ta50  1  0.260352  0.769164  0.412773  1
  Ta  Ta51  1  0.837996  0.344568  0.412471  1
  Ta  Ta52  1  0.300987  0.424815  0.365848  1
  Ta  Ta53  1  0.673935  0.751765  0.423885  1
  Ta  Ta54  1  0.139860  0.838705  0.375257  1
  Ta  Ta55  1  0.414263  0.424036  0.411619  1
  Ta  Ta56  1  0.879646  0.506141  0.363917  1
  Ta  Ta57  1  0.672576  0.250612  0.421336  1
  Ta  Ta58  1  0.132624  0.313638  0.370487  1
  Ta  Ta59  1  0.416942  0.912761  0.412475  1
  Ta  Ta60  1  0.951132  0.834912  0.457235  1
  Ta  Ta61  1  0.573709  0.381446  0.389021  1
  Ta  Ta62  1  0.105295  0.303587  0.433610  1
  Ta  Ta63  1  0.538413  0.849579  0.450041  1
  Ta  Ta64  1  0.002990  0.928804  0.403111  1
  Ta  Ta65  1  0.363431  0.641127  0.384859  1
  Ta  Ta66  1  0.900161  0.562647  0.431043  1
  Ta  Ta67  1  0.696689  0.478115  0.446854  1
  Ta  Ta68  1  0.161841  0.548909  0.397018  1
  Ta  Ta69  1  0.407733  0.676637  0.443480  1
  Ta  Ta70  1  0.873297  0.752104  0.397989  1
  Ta  Ta71  1  0.740596  0.560700  0.392956  1
  Ta  Ta72  1  0.274501  0.493349  0.437148  1
  Ta  Ta73  1  0.518029  0.127623  0.427533  1
  Ta  Ta74  1  0.981989  0.196703  0.381392  1
  Ta  Ta75  1  0.622246  0.979652  0.398346  1
  Ta  Ta76  1  0.156426  0.904661  0.441170  1
  Ta  Ta77  1  0.406234  0.193263  0.390834  1
  Ta  Ta78  1  0.938522  0.117865  0.434673  1
  Ta  Ta79  1  0.666499  0.018428  0.455539  1
  Ta  Ta80  1  0.133500  0.095051  0.407254  1
  Ta  Ta81  1  0.540193  0.359449  0.449476  1
  Ta  Ta82  1  0.003520  0.434548  0.400941  1
  Ta  Ta83  1  0.520985  0.774575  0.384937  1
  Ta  Ta84  1  0.056728  0.700821  0.427693  1
  Ta  Ta85  1  0.804619  0.927181  0.427956  1
  Ta  Ta86  1  0.274928  1.007421  0.381589  1
  Ta  Ta87  1  0.797136  0.183909  0.458083  1
  Ta  Ta88  1  0.261445  0.265770  0.411453  1
  Ta  Ta89  1  0.848138  0.965651  0.485462  1
  Ta  Ta90  1  0.382488  0.888598  0.531255  1
  Ta  Ta91  1  0.615480  0.432107  0.509020  1
  Ta  Ta92  1  0.081431  0.510228  0.460738  1
  Ta  Ta93  1  0.797028  0.691261  0.459921  1
  Ta  Ta94  1  0.330380  0.615656  0.504314  1
  Ta  Ta95  1  0.907488  0.186636  0.504078  1
  Ta  Ta96  1  0.372742  0.265591  0.458127  1
  Ta  Ta97  1  0.742754  0.600655  0.514329  1
  Ta  Ta98  1  0.208334  0.679165  0.467145  1
  Ta  Ta99  1  0.484328  0.268027  0.504485  1
  Ta  Ta100  1  0.949103  0.348335  0.458338  1
  Ta  Ta101  1  0.741018  0.091567  0.513900  1
  Ta  Ta102  1  0.204941  0.168982  0.465937  1
  Ta  Ta103  1  0.485227  0.758957  0.503703  1
  Ta  Ta104  1  0.018149  0.682198  0.548247  1
  Ta  Ta105  1  0.641176  0.226102  0.481920  1
  Ta  Ta106  1  0.174252  0.147958  0.526022  1
  Ta  Ta107  1  0.607097  0.694887  0.540908  1
  Ta  Ta108  1  0.072691  0.773086  0.493845  1
  Ta  Ta109  1  0.433053  0.485672  0.476780  1
  Ta  Ta110  1  0.966596  0.407249  0.522788  1
  Ta  Ta111  1  0.765386  0.323240  0.537541  1
  Ta  Ta112  1  0.230115  0.399848  0.489613  1
  Ta  Ta113  1  0.476201  0.523155  0.535074  1
  Ta  Ta114  1  0.942497  0.598648  0.489367  1
  Ta  Ta115  1  0.808789  0.411070  0.483917  1
  Ta  Ta116  1  0.342728  0.335892  0.527516  1
  Ta  Ta117  1  0.584787  0.974977  0.518347  1
  Ta  Ta118  1  0.050707  0.049913  0.471085  1
  Ta  Ta119  1  0.691531  0.826752  0.488824  1
  Ta  Ta120  1  0.225975  0.751003  0.532356  1
  Ta  Ta121  1  0.472775  0.038704  0.479955  1
  Ta  Ta122  1  0.006680  0.961804  0.524459  1
  Ta  Ta123  1  0.733422  0.863968  0.547345  1
  Ta  Ta124  1  0.200350  0.941751  0.499152  1
  Ta  Ta125  1  0.610935  0.205485  0.542286  1
  Ta  Ta126  1  0.073881  0.282511  0.494170  1
  Ta  Ta127  1  0.589702  0.623069  0.475724  1
  Ta  Ta128  1  0.123521  0.547471  0.519213  1
  Ta  Ta129  1  0.872720  0.774539  0.518799  1
  Ta  Ta130  1  0.339231  0.851740  0.472876  1
  Ta  Ta131  1  0.866095  0.024394  0.549395  1
  Ta  Ta132  1  0.331460  0.105964  0.503429  1
  Ta  Ta133  1  0.914729  0.810359  0.577122  1
  Ta  Ta134  1  0.453578  0.733863  0.623902  1
  Ta  Ta135  1  0.681127  0.278466  0.601443  1
  Ta  Ta136  1  0.148322  0.355857  0.552320  1
  Ta  Ta137  1  0.864105  0.538484  0.551002  1
  Ta  Ta138  1  0.398679  0.463241  0.595426  1
  Ta  Ta139  1  0.977563  0.028149  0.595619  1
  Ta  Ta140  1  0.443011  0.108559  0.549657  1
  Ta  Ta141  1  0.812409  0.443572  0.604997  1
  Ta  Ta142  1  0.276981  0.524984  0.557878  1
  Ta  Ta143  1  0.553477  0.107759  0.596602  1
  Ta  Ta144  1  0.017788  0.189400  0.549905  1
  Ta  Ta145  1  0.812006  0.941995  0.606702  1
  Ta  Ta146  1  0.276179  1.015712  0.558719  1
  Ta  Ta147  1  0.555449  0.605936  0.595305  1
  Ta  Ta148  1  0.092047  0.536819  0.638171  1
  Ta  Ta149  1  0.709662  0.070691  0.574819  1
  Ta  Ta150  1  0.240891  0.991800  0.618697  1
  Ta  Ta151  1  0.675032  0.533801  0.632842  1
  Ta  Ta152  1  0.141517  0.622060  0.584088  1
  Ta  Ta153  1  0.501876  0.331832  0.567839  1
  Ta  Ta154  1  0.036634  0.251708  0.612257  1
  Ta  Ta155  1  0.831571  0.177052  0.628614  1
  Ta  Ta156  1  0.295940  0.249335  0.579688  1
  Ta  Ta157  1  0.538625  0.367987  0.626088  1
  Ta  Ta158  1  0.010782  0.445578  0.580098  1
  Ta  Ta159  1  0.876484  0.252220  0.574476  1
  Ta  Ta160  1  0.407831  0.183474  0.615246  1
  Ta  Ta161  1  0.653415  0.825799  0.610970  1
  Ta  Ta162  1  0.119337  0.895348  0.561281  1
  Ta  Ta163  1  0.758382  0.673040  0.580455  1
  Ta  Ta164  1  0.294781  0.601114  0.623262  1
  Ta  Ta165  1  0.540759  0.880687  0.570891  1
  Ta  Ta166  1  0.074495  0.811401  0.614960  1
  Ta  Ta167  1  0.801574  0.703540  0.638579  1
  Ta  Ta168  1  0.268915  0.790083  0.590719  1
  Ta  Ta169  1  0.679860  0.060497  0.638905  1
  Ta  Ta170  1  0.142773  0.123069  0.586290  1
  Ta  Ta171  1  0.659093  0.468982  0.567022  1
  Ta  Ta172  1  0.193040  0.395806  0.609530  1
  Ta  Ta173  1  0.942207  0.620435  0.610131  1
  Ta  Ta174  1  0.407883  0.698094  0.564781  1
  Ta  Ta175  1  0.935652  0.865741  0.644039  1
  Ta  Ta176  1  0.401365  0.949668  0.596869  1
  Ta  Ta177  1  -0.008117  0.659717  0.668202  1
  Ta  Ta178  1  0.517346  0.572884  0.712133  1
  Ta  Ta179  1  0.771264  0.112628  0.694477  1
  Ta  Ta180  1  0.217554  0.204241  0.642245  1
  Ta  Ta181  1  0.940130  0.382725  0.641165  1
  Ta  Ta182  1  0.455262  0.300383  0.689774  1
  Ta  Ta183  1  0.054033  0.876291  0.687538  1
  Ta  Ta184  1  0.514134  0.948662  0.642702  1
  Ta  Ta185  1  0.906858  0.277550  0.695553  1
  Ta  Ta186  1  0.346127  0.370659  0.648965  1
  Ta  Ta187  1  0.617939  0.961284  0.690810  1
  Ta  Ta188  1  0.088548  0.036746  0.644437  1
  Ta  Ta189  1  0.871185  0.748722  0.697217  1
  Ta  Ta190  1  0.346736  0.862793  0.652144  1
  Ta  Ta191  1  0.609992  0.425769  0.683521  1
  Ta  Ta192  1  0.159714  0.389035  0.725066  1
  Ta  Ta193  1  0.777314  0.909429  0.664817  1
  Ta  Ta194  1  0.310030  0.851540  0.708710  1
  Ta  Ta195  1  0.753714  0.362274  0.717564  1
  Ta  Ta196  1  0.212331  0.468061  0.672331  1
  Ta  Ta197  1  0.555012  0.176254  0.657304  1
  Ta  Ta198  1  0.077715  0.130754  0.705487  1
  Ta  Ta199  1  0.912326  0.979552  0.709874  1
  Ta  Ta200  1  0.360916  0.095205  0.664975  1
  Ta  Ta201  1  0.616200  0.196258  0.709734  1
  Ta  Ta202  1  0.085624  0.297387  0.667654  1
  Ta  Ta203  1  0.942679  0.097605  0.660245  1
  Ta  Ta204  1  0.461562  0.027188  0.702767  1
  Ta  Ta205  1  0.721101  0.607058  0.697897  1
  Ta  Ta206  1  0.189204  0.756919  0.652970  1
  Ta  Ta207  1  0.840053  0.505713  0.668704  1
  Ta  Ta208  1  0.348427  0.453256  0.711862  1
  Ta  Ta209  1  0.616756  0.726907  0.664813  1
  Ta  Ta210  1  0.158919  0.660374  0.704057  1
  Ta  Ta211  1  0.885703  0.529885  0.724050  1
  Ta  Ta212  1  0.338128  0.641830  0.680127  1
  Ta  Ta213  1  0.734825  0.849964  0.718906  1
  Ta  Ta214  1  0.210571  0.988829  0.682912  1
  Ta  Ta215  1  0.730637  0.311662  0.659922  1
  Ta  Ta216  1  0.256844  0.237117  0.698645  1
  Ta  Ta217  1  0.026998  0.475730  0.698419  1
  Ta  Ta218  1  0.474755  0.542462  0.656609  1
  Ta  Ta219  1  0.007999  0.717639  0.730164  1
  Ta  Ta220  1  0.473871  0.786723  0.690216  1
