# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47998109
_cell_length_b   12.25671982
_cell_length_c   55.02647369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95761409
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta176
_cell_volume   7068.15917473
_cell_formula_units_Z   176
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  0.267413  0.314196  0.333670  1
  Ta  Ta2  1  0.247022  0.015021  0.281040  1
  Ta  Ta3  1  0.765770  0.958810  0.361257  1
  Ta  Ta4  1  0.771700  0.668448  0.307546  1
  Ta  Ta5  1  0.514971  0.352359  0.322585  1
  Ta  Ta6  1  0.536667  0.069826  0.272515  1
  Ta  Ta7  1  0.946897  0.291818  0.339934  1
  Ta  Ta8  1  0.941171  0.009079  0.287696  1
  Ta  Ta9  1  0.603087  0.290490  0.278941  1
  Ta  Ta10  1  0.590946  0.558814  0.332178  1
  Ta  Ta11  1  0.939600  0.065850  0.334356  1
  Ta  Ta12  1  0.964352  0.780205  0.283456  1
  Ta  Ta13  1  0.094192  0.410265  0.305692  1
  Ta  Ta14  1  0.086510  0.710445  0.361483  1
  Ta  Ta15  1  0.436783  0.207901  0.362218  1
  Ta  Ta16  1  0.436319  0.917456  0.305316  1
  Ta  Ta17  1  0.086362  0.936947  0.368620  1
  Ta  Ta18  1  0.090009  0.636982  0.313354  1
  Ta  Ta19  1  0.517046  0.997900  0.350185  1
  Ta  Ta20  1  0.507207  0.703036  0.297352  1
  Ta  Ta21  1  0.705708  0.212495  0.360183  1
  Ta  Ta22  1  0.709655  0.913993  0.304701  1
  Ta  Ta23  1  0.762147  0.392824  0.315244  1
  Ta  Ta24  1  0.766832  0.685068  0.368061  1
  Ta  Ta25  1  0.703001  0.137982  0.313417  1
  Ta  Ta26  1  0.701999  0.432328  0.369524  1
  Ta  Ta27  1  0.897515  0.248903  0.288912  1
  Ta  Ta28  1  0.904716  0.537749  0.340566  1
  Ta  Ta29  1  0.126745  0.185244  0.368776  1
  Ta  Ta30  1  0.125200  0.893334  0.315328  1
  Ta  Ta31  1  0.362937  0.490785  0.291409  1
  Ta  Ta32  1  0.325196  0.790536  0.341051  1
  Ta  Ta33  1  0.265326  0.039327  0.340694  1
  Ta  Ta34  1  0.262411  0.749227  0.287951  1
  Ta  Ta35  1  0.324842  0.267587  0.281464  1
  Ta  Ta36  1  0.320012  0.573618  0.334161  1
  Ta  Ta37  1  0.898371  0.512367  0.283472  1
  Ta  Ta38  1  0.903828  0.816664  0.333386  1
  Ta  Ta39  1  0.623361  0.509571  0.282462  1
  Ta  Ta40  1  0.593884  0.787868  0.339540  1
  Ta  Ta41  1  0.439119  0.142175  0.313303  1
  Ta  Ta42  1  0.432831  0.435707  0.367369  1
  Ta  Ta43  1  0.126447  0.164730  0.308432  1
  Ta  Ta44  1  0.126937  0.460596  0.360981  1
  Ta  Ta45  1  0.263636  0.896769  0.445516  1
  Ta  Ta46  1  0.262759  0.605470  0.389808  1
  Ta  Ta47  1  0.767123  0.542361  0.473501  1
  Ta  Ta48  1  0.766921  0.251004  0.417450  1
  Ta  Ta49  1  0.515128  0.936494  0.434890  1
  Ta  Ta50  1  0.514966  0.644736  0.378515  1
  Ta  Ta51  1  0.943610  0.872449  0.452395  1
  Ta  Ta52  1  0.943501  0.581459  0.396342  1
  Ta  Ta53  1  0.594586  0.853872  0.389779  1
  Ta  Ta54  1  0.594376  0.146043  0.445904  1
  Ta  Ta55  1  0.943696  0.646555  0.445560  1
  Ta  Ta56  1  0.943810  0.355545  0.389537  1
  Ta  Ta57  1  0.086272  0.001054  0.417778  1
  Ta  Ta58  1  0.086802  0.292202  0.473590  1
  Ta  Ta59  1  0.435925  0.791861  0.473954  1
  Ta  Ta60  1  0.437615  0.500417  0.417741  1
  Ta  Ta61  1  0.086901  0.518108  0.480304  1
  Ta  Ta62  1  0.086352  0.227063  0.424411  1
  Ta  Ta63  1  0.515537  0.582397  0.462916  1
  Ta  Ta64  1  0.515383  0.290636  0.407000  1
  Ta  Ta65  1  0.705332  0.795964  0.472605  1
  Ta  Ta66  1  0.706988  0.504390  0.416750  1
  Ta  Ta67  1  0.766589  0.976490  0.424527  1
  Ta  Ta68  1  0.766940  0.268053  0.480493  1
  Ta  Ta69  1  0.705003  0.723139  0.425289  1
  Ta  Ta70  1  0.705294  0.014855  0.481409  1
  Ta  Ta71  1  0.903166  0.829954  0.396731  1
  Ta  Ta72  1  0.903624  0.121468  0.452724  1
  Ta  Ta73  1  0.126666  0.767064  0.480636  1
  Ta  Ta74  1  0.126438  0.475942  0.424773  1
  Ta  Ta75  1  0.325548  0.077877  0.397662  1
  Ta  Ta76  1  0.325529  0.369329  0.453251  1
  Ta  Ta77  1  0.263828  0.622367  0.452400  1
  Ta  Ta78  1  0.263782  0.331158  0.396636  1
  Ta  Ta79  1  0.325191  0.859321  0.388720  1
  Ta  Ta80  1  0.324379  0.150360  0.444821  1
  Ta  Ta81  1  0.903338  0.105847  0.389406  1
  Ta  Ta82  1  0.903967  0.397362  0.445260  1
  Ta  Ta83  1  0.595360  0.080692  0.395732  1
  Ta  Ta84  1  0.595093  0.372841  0.451965  1
  Ta  Ta85  1  0.435674  0.726891  0.423798  1
  Ta  Ta86  1  0.436061  0.018513  0.479962  1
  Ta  Ta87  1  0.126219  0.752291  0.417306  1
  Ta  Ta88  1  0.126473  0.043256  0.473283  1
  Ta  Ta89  1  0.264934  0.479169  0.557353  1
  Ta  Ta90  1  0.263868  0.188012  0.501476  1
  Ta  Ta91  1  0.766777  0.125168  0.585483  1
  Ta  Ta92  1  0.766944  0.833945  0.529475  1
  Ta  Ta93  1  0.516153  0.519691  0.547090  1
  Ta  Ta94  1  0.515464  0.228134  0.490997  1
  Ta  Ta95  1  0.943424  0.454621  0.564038  1
  Ta  Ta96  1  0.943663  0.163732  0.508339  1
  Ta  Ta97  1  0.595326  0.437672  0.502063  1
  Ta  Ta98  1  0.595613  0.729748  0.558126  1
  Ta  Ta99  1  0.943788  0.228686  0.557495  1
  Ta  Ta100  1  0.943706  0.937826  0.501558  1
  Ta  Ta101  1  0.087219  0.583210  0.529474  1
  Ta  Ta102  1  0.088240  0.873955  0.585364  1
  Ta  Ta103  1  0.437915  0.376366  0.586327  1
  Ta  Ta104  1  0.436165  0.083754  0.530084  1
  Ta  Ta105  1  0.087523  0.099895  0.592060  1
  Ta  Ta106  1  0.087049  0.809168  0.536197  1
  Ta  Ta107  1  0.515487  0.166080  0.575378  1
  Ta  Ta108  1  0.515279  0.874075  0.519077  1
  Ta  Ta109  1  0.705238  0.376519  0.585080  1
  Ta  Ta110  1  0.705012  0.087039  0.528778  1
  Ta  Ta111  1  0.767110  0.559581  0.536289  1
  Ta  Ta112  1  0.768755  0.850826  0.591985  1
  Ta  Ta113  1  0.705532  0.306011  0.537528  1
  Ta  Ta114  1  0.704132  0.595754  0.593138  1
  Ta  Ta115  1  0.904059  0.412654  0.508666  1
  Ta  Ta116  1  0.904652  0.703415  0.564475  1
  Ta  Ta117  1  0.126794  0.349925  0.592101  1
  Ta  Ta118  1  0.126594  0.058383  0.536528  1
  Ta  Ta119  1  0.325067  0.660094  0.509204  1
  Ta  Ta120  1  0.323115  0.951041  0.564847  1
  Ta  Ta121  1  0.264139  0.204751  0.564162  1
  Ta  Ta122  1  0.263710  0.913600  0.508326  1
  Ta  Ta123  1  0.325761  0.441309  0.500555  1
  Ta  Ta124  1  0.326268  0.732428  0.556475  1
  Ta  Ta125  1  0.903985  0.688938  0.501202  1
  Ta  Ta126  1  0.904181  0.980235  0.557142  1
  Ta  Ta127  1  0.594467  0.664580  0.507996  1
  Ta  Ta128  1  0.592381  0.956618  0.564511  1
  Ta  Ta129  1  0.436621  0.310271  0.536036  1
  Ta  Ta130  1  0.437361  0.602726  0.592112  1
  Ta  Ta131  1  0.126918  0.334549  0.529174  1
  Ta  Ta132  1  0.127939  0.625414  0.585048  1
  Ta  Ta133  1  0.270947  0.062318  0.666788  1
  Ta  Ta134  1  0.266103  0.770138  0.613613  1
  Ta  Ta135  1  0.772058  0.708267  0.693472  1
  Ta  Ta136  1  0.763719  0.413830  0.642185  1
  Ta  Ta137  1  0.518651  0.105900  0.659709  1
  Ta  Ta138  1  0.517295  0.812165  0.603417  1
  Ta  Ta139  1  0.941739  0.042688  0.675220  1
  Ta  Ta140  1  0.945655  0.744929  0.619867  1
  Ta  Ta141  1  0.600493  0.021734  0.615289  1
  Ta  Ta142  1  0.594905  0.319659  0.674002  1
  Ta  Ta143  1  0.945410  0.817011  0.667942  1
  Ta  Ta144  1  0.942590  0.517438  0.613050  1
  Ta  Ta145  1  0.087555  0.163965  0.641503  1
  Ta  Ta146  1  0.098406  0.443812  0.693071  1
  Ta  Ta147  1  0.406269  0.944320  0.699619  1
  Ta  Ta148  1  0.442119  0.668768  0.641967  1
  Ta  Ta149  1  0.063534  0.667265  0.697931  1
  Ta  Ta150  1  0.093183  0.390131  0.646720  1
  Ta  Ta151  1  0.525361  0.751950  0.684427  1
  Ta  Ta152  1  0.514501  0.457236  0.632750  1
  Ta  Ta153  1  0.667317  0.965301  0.690128  1
  Ta  Ta154  1  0.707270  0.664536  0.640555  1
  Ta  Ta155  1  0.765169  0.142550  0.648368  1
  Ta  Ta156  1  0.812744  0.449178  0.700582  1
  Ta  Ta157  1  0.712963  0.881044  0.647654  1
  Ta  Ta158  1  0.734813  0.180358  0.699426  1
  Ta  Ta159  1  0.905480  0.995072  0.620766  1
  Ta  Ta160  1  0.910397  0.291926  0.672609  1
  Ta  Ta161  1  0.132850  0.938618  0.698178  1
  Ta  Ta162  1  0.130737  0.639060  0.647514  1
  Ta  Ta163  1  0.320963  0.241478  0.620335  1
  Ta  Ta164  1  0.323236  0.540658  0.675210  1
  Ta  Ta165  1  0.260932  0.784162  0.674237  1
  Ta  Ta166  1  0.268042  0.495215  0.620177  1
  Ta  Ta167  1  0.332016  0.022432  0.612135  1
  Ta  Ta168  1  0.330829  0.312473  0.666706  1
  Ta  Ta169  1  0.903529  0.270343  0.613293  1
  Ta  Ta170  1  0.909376  0.564723  0.664649  1
  Ta  Ta171  1  0.588506  0.249598  0.621664  1
  Ta  Ta172  1  0.604664  0.540000  0.677263  1
  Ta  Ta173  1  0.440920  0.898143  0.650013  1
  Ta  Ta174  1  0.435952  0.163723  0.703157  1
  Ta  Ta175  1  0.129557  0.918068  0.640939  1
  Ta  Ta176  1  0.131511  0.203846  0.692811  1
