# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.30899339
_cell_length_b   13.24797926
_cell_length_c   47.49594517
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.56066338
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta176
_cell_volume   7209.20643469
_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  0.448614  0.341383  0.307270  1
  Ta  Ta2  1  0.791971  0.224847  0.360601  1
  Ta  Ta3  1  0.255065  0.899033  0.285338  1
  Ta  Ta4  1  0.620460  0.776581  0.333298  1
  Ta  Ta5  1  0.314119  0.412581  0.354418  1
  Ta  Ta6  1  0.977384  0.548885  0.299331  1
  Ta  Ta7  1  0.271799  0.018061  0.368447  1
  Ta  Ta8  1  0.925916  0.142203  0.309899  1
  Ta  Ta9  1  0.169896  0.097707  0.313958  1
  Ta  Ta10  1  0.510697  0.936416  0.373626  1
  Ta  Ta11  1  0.073325  0.452435  0.348760  1
  Ta  Ta12  1  0.739722  0.571370  0.297621  1
  Ta  Ta13  1  0.478802  0.134799  0.293474  1
  Ta  Ta14  1  0.838392  0.011367  0.344790  1
  Ta  Ta15  1  0.381056  0.572575  0.331124  1
  Ta  Ta16  1  0.712333  0.475703  0.392414  1
  Ta  Ta17  1  0.229014  0.713808  0.293313  1
  Ta  Ta18  1  0.598040  0.587516  0.345844  1
  Ta  Ta19  1  0.983713  0.861386  0.382482  1
  Ta  Ta20  1  0.629473  0.990887  0.330089  1
  Ta  Ta21  1  0.200670  0.278832  0.396105  1
  Ta  Ta22  1  0.843984  0.407265  0.344263  1
  Ta  Ta23  1  0.352274  0.172229  0.347075  1
  Ta  Ta24  1  0.971486  0.336595  0.297477  1
  Ta  Ta25  1  0.211873  0.304452  0.306435  1
  Ta  Ta26  1  0.557953  0.186548  0.358374  1
  Ta  Ta27  1  0.065002  0.248168  0.354324  1
  Ta  Ta28  1  0.706525  0.375864  0.302494  1
  Ta  Ta29  1  0.361901  0.796881  0.342814  1
  Ta  Ta30  1  0.005616  0.899545  0.289663  1
  Ta  Ta31  1  0.243735  0.676527  0.380406  1
  Ta  Ta32  1  0.880135  0.797819  0.323092  1
  Ta  Ta33  1  0.100142  0.655732  0.338860  1
  Ta  Ta34  1  0.449164  0.518174  0.395709  1
  Ta  Ta35  1  0.121500  0.879852  0.337308  1
  Ta  Ta36  1  0.774043  0.992939  0.284357  1
  Ta  Ta37  1  0.474834  0.713710  0.295381  1
  Ta  Ta38  1  0.835991  0.617131  0.348731  1
  Ta  Ta39  1  0.417291  0.960840  0.314771  1
  Ta  Ta40  1  0.762468  0.847909  0.373016  1
  Ta  Ta41  1  0.221668  0.502701  0.297239  1
  Ta  Ta42  1  0.575983  0.386341  0.352832  1
  Ta  Ta43  1  0.025968  0.066975  0.365475  1
  Ta  Ta44  1  0.678277  0.185784  0.308709  1
  Ta  Ta45  1  0.136089  0.103312  0.416743  1
  Ta  Ta46  1  0.483821  0.981038  0.472960  1
  Ta  Ta47  1  0.971268  0.658427  0.389828  1
  Ta  Ta48  1  0.313273  0.538695  0.446839  1
  Ta  Ta49  1  0.006073  0.176014  0.464208  1
  Ta  Ta50  1  0.663235  0.292088  0.409241  1
  Ta  Ta51  1  0.966933  0.783347  0.481587  1
  Ta  Ta52  1  0.618787  0.904916  0.425894  1
  Ta  Ta53  1  0.857934  0.817734  0.429513  1
  Ta  Ta54  1  0.201007  0.727563  0.484913  1
  Ta  Ta55  1  0.777152  0.190478  0.456980  1
  Ta  Ta56  1  0.428617  0.314902  0.403246  1
  Ta  Ta57  1  0.186361  0.886961  0.400568  1
  Ta  Ta58  1  0.555590  0.751783  0.450965  1
  Ta  Ta59  1  0.057135  0.350160  0.442993  1
  Ta  Ta60  1  0.417303  0.213374  0.496079  1
  Ta  Ta61  1  0.942045  0.467373  0.398261  1
  Ta  Ta62  1  0.290607  0.344861  0.451379  1
  Ta  Ta63  1  0.677317  0.621375  0.495933  1
  Ta  Ta64  1  0.336428  0.736323  0.439879  1
  Ta  Ta65  1  0.911389  0.035526  0.503254  1
  Ta  Ta66  1  0.550859  0.153042  0.449051  1
  Ta  Ta67  1  0.028144  0.936011  0.451682  1
  Ta  Ta68  1  0.688955  0.057067  0.399139  1
  Ta  Ta69  1  0.897601  0.064995  0.411932  1
  Ta  Ta70  1  0.214618  0.959695  0.475534  1
  Ta  Ta71  1  0.758739  0.991228  0.465623  1
  Ta  Ta72  1  0.410448  0.112016  0.408947  1
  Ta  Ta73  1  0.048965  0.562188  0.452154  1
  Ta  Ta74  1  0.701454  0.690838  0.397221  1
  Ta  Ta75  1  0.925671  0.428594  0.493631  1
  Ta  Ta76  1  0.580823  0.548469  0.439504  1
  Ta  Ta77  1  0.798014  0.392743  0.450177  1
  Ta  Ta78  1  0.157663  0.314754  0.499375  1
  Ta  Ta79  1  0.814529  0.613389  0.446018  1
  Ta  Ta80  1  0.469887  0.738207  0.392563  1
  Ta  Ta81  1  0.184737  0.494868  0.402151  1
  Ta  Ta82  1  0.528822  0.368472  0.456881  1
  Ta  Ta83  1  0.111366  0.723103  0.428883  1
  Ta  Ta84  1  0.453529  0.592107  0.489291  1
  Ta  Ta85  1  0.919543  0.267350  0.404646  1
  Ta  Ta86  1  0.263968  0.146818  0.459687  1
  Ta  Ta87  1  0.707609  0.814345  0.484372  1
  Ta  Ta88  1  0.367109  0.933507  0.427132  1
  Ta  Ta89  1  0.834027  0.864215  0.528056  1
  Ta  Ta90  1  0.181530  0.741446  0.584324  1
  Ta  Ta91  1  0.658728  0.422818  0.500581  1
  Ta  Ta92  1  0.004278  0.306573  0.554226  1
  Ta  Ta93  1  0.699559  0.940228  0.575179  1
  Ta  Ta94  1  0.351037  0.061827  0.519460  1
  Ta  Ta95  1  0.654522  0.553198  0.591880  1
  Ta  Ta96  1  0.311805  0.669215  0.536878  1
  Ta  Ta97  1  0.541005  0.654541  0.544020  1
  Ta  Ta98  1  0.889169  0.530364  0.598025  1
  Ta  Ta99  1  0.460170  0.027924  0.571518  1
  Ta  Ta100  1  0.116931  0.117985  0.516124  1
  Ta  Ta101  1  0.900252  0.631985  0.504970  1
  Ta  Ta102  1  0.260383  0.495198  0.558079  1
  Ta  Ta103  1  0.761707  0.093675  0.549868  1
  Ta  Ta104  1  0.131659  0.957634  0.600141  1
  Ta  Ta105  1  0.640369  0.223992  0.505005  1
  Ta  Ta106  1  0.981418  0.108718  0.560984  1
  Ta  Ta107  1  0.374823  0.377916  0.602824  1
  Ta  Ta108  1  0.027011  0.500441  0.549784  1
  Ta  Ta109  1  0.629642  0.787817  0.601923  1
  Ta  Ta110  1  0.290355  0.908863  0.549345  1
  Ta  Ta111  1  0.767314  0.692134  0.552097  1
  Ta  Ta112  1  0.406877  0.809634  0.497755  1
  Ta  Ta113  1  0.559389  0.853969  0.535462  1
  Ta  Ta114  1  0.907851  0.732861  0.592277  1
  Ta  Ta115  1  0.421111  0.779690  0.589048  1
  Ta  Ta116  1  0.103340  0.885522  0.525653  1
  Ta  Ta117  1  0.736465  0.297020  0.561478  1
  Ta  Ta118  1  0.391871  0.416797  0.507438  1
  Ta  Ta119  1  0.615204  0.154880  0.603662  1
  Ta  Ta120  1  0.268470  0.283130  0.548941  1
  Ta  Ta121  1  0.502750  0.232607  0.554912  1
  Ta  Ta122  1  0.846539  0.107636  0.607919  1
  Ta  Ta123  1  0.519180  0.453057  0.550924  1
  Ta  Ta124  1  0.159906  0.530692  0.501703  1
  Ta  Ta125  1  0.864040  0.253294  0.511718  1
  Ta  Ta126  1  0.206724  0.121913  0.572101  1
  Ta  Ta127  1  0.788927  0.476982  0.544232  1
  Ta  Ta128  1  0.132333  0.350080  0.599033  1
  Ta  Ta129  1  0.610091  0.030951  0.516650  1
  Ta  Ta130  1  0.950610  0.911427  0.573922  1
  Ta  Ta131  1  0.397591  0.577906  0.596635  1
  Ta  Ta132  1  0.053737  0.698362  0.541364  1
  Ta  Ta133  1  0.526752  0.620813  0.640571  1
  Ta  Ta134  1  0.870391  0.501836  0.694292  1
  Ta  Ta135  1  0.345604  0.186663  0.611522  1
  Ta  Ta136  1  0.698170  0.068369  0.667671  1
  Ta  Ta137  1  0.390213  0.704520  0.690937  1
  Ta  Ta138  1  0.046449  0.826999  0.632725  1
  Ta  Ta139  1  0.337624  0.297018  0.701610  1
  Ta  Ta140  1  0.003428  0.431919  0.647097  1
  Ta  Ta141  1  0.243756  0.391467  0.652358  1
  Ta  Ta142  1  0.576086  0.275114  0.703354  1
  Ta  Ta143  1  0.145727  0.749658  0.687076  1
  Ta  Ta144  1  0.807669  0.908367  0.627590  1
  Ta  Ta145  1  0.604643  0.370341  0.608560  1
  Ta  Ta146  1  0.937085  0.270173  0.669956  1
  Ta  Ta147  1  0.480637  0.834075  0.656257  1
  Ta  Ta148  1  0.841780  0.711200  0.707361  1
  Ta  Ta149  1  0.334918  0.982950  0.618324  1
  Ta  Ta150  1  0.690764  0.854793  0.671526  1
  Ta  Ta151  1  0.077794  0.115451  0.705371  1
  Ta  Ta152  1  0.718168  0.258946  0.654859  1
  Ta  Ta153  1  0.344451  0.509710  0.703569  1
  Ta  Ta154  1  0.966419  0.673150  0.654377  1
  Ta  Ta155  1  0.472181  0.439286  0.656748  1
  Ta  Ta156  1  0.117358  0.565836  0.605114  1
  Ta  Ta157  1  0.249670  0.598214  0.647429  1
  Ta  Ta158  1  0.610046  0.470821  0.698451  1
  Ta  Ta159  1  0.105929  0.536555  0.694611  1
  Ta  Ta160  1  0.760521  0.659058  0.642900  1
  Ta  Ta161  1  0.438818  0.048916  0.677562  1
  Ta  Ta162  1  0.073613  0.168319  0.620320  1
  Ta  Ta163  1  0.312034  0.953222  0.710470  1
  Ta  Ta164  1  0.953207  0.049158  0.657056  1
  Ta  Ta165  1  0.196690  0.963863  0.662933  1
  Ta  Ta166  1  0.541585  0.853432  0.716565  1
  Ta  Ta167  1  0.214789  0.187285  0.662625  1
  Ta  Ta168  1  0.868036  0.327375  0.605310  1
  Ta  Ta169  1  0.556301  0.996930  0.627942  1
  Ta  Ta170  1  0.903920  0.886567  0.686391  1
  Ta  Ta171  1  0.482055  0.228803  0.652209  1
  Ta  Ta172  1  0.833592  0.143942  0.704930  1
  Ta  Ta173  1  0.292862  0.776802  0.635365  1
  Ta  Ta174  1  0.640570  0.659978  0.692557  1
  Ta  Ta175  1  0.094575  0.331674  0.704022  1
  Ta  Ta176  1  0.742270  0.459062  0.648390  1
