# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.85823475
_cell_length_b   11.85309863
_cell_length_c   47.99778319
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta162
_cell_volume   6419.11985293
_cell_formula_units_Z   162
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  0.843012  0.179654  0.286609  1
  Ta  Ta2  1  0.178515  0.844150  0.286608  1
  Ta  Ta3  1  0.091527  0.092599  0.314459  1
  Ta  Ta4  1  0.466550  0.135503  0.299874  1
  Ta  Ta5  1  0.800435  0.801550  0.301192  1
  Ta  Ta6  1  0.134417  0.467647  0.299874  1
  Ta  Ta7  1  0.510153  0.511280  0.285030  1
  Ta  Ta8  1  0.423926  0.759149  0.314448  1
  Ta  Ta9  1  0.758075  0.424996  0.314447  1
  Ta  Ta10  1  0.571182  0.905356  0.322642  1
  Ta  Ta11  1  0.904300  0.572243  0.322641  1
  Ta  Ta12  1  0.947219  0.948292  0.307172  1
  Ta  Ta13  1  0.321157  0.988746  0.293060  1
  Ta  Ta14  1  0.655604  0.656737  0.293335  1
  Ta  Ta15  1  0.987619  0.322287  0.293060  1
  Ta  Ta16  1  0.365294  0.366442  0.278852  1
  Ta  Ta17  1  0.281877  0.610484  0.306791  1
  Ta  Ta18  1  0.609407  0.282945  0.306793  1
  Ta  Ta19  1  0.719996  0.054466  0.329918  1
  Ta  Ta20  1  0.053427  0.721038  0.329919  1
  Ta  Ta21  1  0.975204  0.976230  0.365001  1
  Ta  Ta22  1  0.348285  0.016856  0.348720  1
  Ta  Ta23  1  0.682354  0.683398  0.348944  1
  Ta  Ta24  1  0.015811  0.349330  0.348719  1
  Ta  Ta25  1  0.387843  0.388900  0.333449  1
  Ta  Ta26  1  0.308341  0.643066  0.365166  1
  Ta  Ta27  1  0.642039  0.309367  0.365166  1
  Ta  Ta28  1  0.455636  0.790350  0.373392  1
  Ta  Ta29  1  0.789330  0.456656  0.373392  1
  Ta  Ta30  1  0.829260  0.830294  0.356763  1
  Ta  Ta31  1  0.201497  0.868878  0.341196  1
  Ta  Ta32  1  0.535714  0.536766  0.340855  1
  Ta  Ta33  1  0.867821  0.202552  0.341196  1
  Ta  Ta34  1  0.239945  0.240998  0.321845  1
  Ta  Ta35  1  0.160459  0.497515  0.356751  1
  Ta  Ta36  1  0.496483  0.161489  0.356750  1
  Ta  Ta37  1  0.603275  0.936941  0.381458  1
  Ta  Ta38  1  0.935932  0.604285  0.381457  1
  Ta  Ta39  1  0.857877  0.858863  0.415396  1
  Ta  Ta40  1  0.230352  0.898265  0.399090  1
  Ta  Ta41  1  0.563981  0.564984  0.399043  1
  Ta  Ta42  1  0.897260  0.231357  0.399089  1
  Ta  Ta43  1  0.269554  0.270566  0.381623  1
  Ta  Ta44  1  0.190716  0.525692  0.415435  1
  Ta  Ta45  1  0.524704  0.191703  0.415434  1
  Ta  Ta46  1  0.337962  0.672518  0.423858  1
  Ta  Ta47  1  0.671536  0.338943  0.423858  1
  Ta  Ta48  1  0.711023  0.712017  0.407216  1
  Ta  Ta49  1  0.082833  0.750757  0.389889  1
  Ta  Ta50  1  0.416831  0.417842  0.391012  1
  Ta  Ta51  1  0.749752  0.083837  0.389889  1
  Ta  Ta52  1  0.122655  0.123676  0.373320  1
  Ta  Ta53  1  0.044184  0.378689  0.407133  1
  Ta  Ta54  1  0.377694  0.045179  0.407133  1
  Ta  Ta55  1  0.485204  0.819573  0.432148  1
  Ta  Ta56  1  0.818598  0.486179  0.432148  1
  Ta  Ta57  1  0.740123  0.741073  0.465744  1
  Ta  Ta58  1  0.112416  0.780186  0.448868  1
  Ta  Ta59  1  0.445986  0.446950  0.449217  1
  Ta  Ta60  1  0.779223  0.113378  0.448868  1
  Ta  Ta61  1  0.151918  0.152894  0.432159  1
  Ta  Ta62  1  0.073406  0.407691  0.465741  1
  Ta  Ta63  1  0.406741  0.074356  0.465741  1
  Ta  Ta64  1  0.220246  0.554718  0.474102  1
  Ta  Ta65  1  0.553774  0.221189  0.474101  1
  Ta  Ta66  1  0.593078  0.594034  0.457449  1
  Ta  Ta67  1  0.965456  0.633248  0.440434  1
  Ta  Ta68  1  0.298865  0.299834  0.440555  1
  Ta  Ta69  1  0.632280  0.966424  0.440434  1
  Ta  Ta70  1  0.004707  0.005689  0.423746  1
  Ta  Ta71  1  0.926410  0.260599  0.457459  1
  Ta  Ta72  1  0.259643  0.927367  0.457459  1
  Ta  Ta73  1  0.367322  0.701711  0.482479  1
  Ta  Ta74  1  0.700773  0.368259  0.482479  1
  Ta  Ta75  1  0.622259  0.623169  0.515992  1
  Ta  Ta76  1  0.994851  0.662430  0.499199  1
  Ta  Ta77  1  0.328179  0.329104  0.499296  1
  Ta  Ta78  1  0.661506  0.995774  0.499199  1
  Ta  Ta79  1  0.034047  0.034984  0.482432  1
  Ta  Ta80  1  0.955657  0.289785  0.516042  1
  Ta  Ta81  1  0.288874  0.956568  0.516042  1
  Ta  Ta82  1  0.102749  0.436790  0.524407  1
  Ta  Ta83  1  0.435885  0.103654  0.524407  1
  Ta  Ta84  1  0.475209  0.476127  0.507726  1
  Ta  Ta85  1  0.847840  0.515355  0.490787  1
  Ta  Ta86  1  0.181175  0.182106  0.490891  1
  Ta  Ta87  1  0.514425  0.848770  0.490787  1
  Ta  Ta88  1  0.887069  0.888012  0.474069  1
  Ta  Ta89  1  0.808536  0.142720  0.507619  1
  Ta  Ta90  1  0.141802  0.809454  0.507619  1
  Ta  Ta91  1  0.249602  0.583820  0.532755  1
  Ta  Ta92  1  0.582922  0.250500  0.532755  1
  Ta  Ta93  1  0.504445  0.505319  0.566376  1
  Ta  Ta94  1  0.877102  0.544494  0.549313  1
  Ta  Ta95  1  0.210518  0.211403  0.549650  1
  Ta  Ta96  1  0.543610  0.877986  0.549313  1
  Ta  Ta97  1  0.916315  0.917213  0.532753  1
  Ta  Ta98  1  0.837793  0.171968  0.566366  1
  Ta  Ta99  1  0.171096  0.838666  0.566366  1
  Ta  Ta100  1  0.985003  0.318964  0.574698  1
  Ta  Ta101  1  0.318098  0.985869  0.574698  1
  Ta  Ta102  1  0.357502  0.358383  0.558064  1
  Ta  Ta103  1  0.729968  0.397430  0.541064  1
  Ta  Ta104  1  0.063307  0.064197  0.541054  1
  Ta  Ta105  1  0.396539  0.730860  0.541064  1
  Ta  Ta106  1  0.769365  0.770269  0.524360  1
  Ta  Ta107  1  0.690754  0.025159  0.557943  1
  Ta  Ta108  1  0.024280  0.691634  0.557943  1
  Ta  Ta109  1  0.132262  0.465806  0.583094  1
  Ta  Ta110  1  0.464946  0.133123  0.583094  1
  Ta  Ta111  1  0.386814  0.387653  0.617059  1
  Ta  Ta112  1  0.759145  0.426397  0.599532  1
  Ta  Ta113  1  0.092512  0.093356  0.599484  1
  Ta  Ta114  1  0.425553  0.759990  0.599532  1
  Ta  Ta115  1  0.798744  0.799603  0.582995  1
  Ta  Ta116  1  0.719904  0.054803  0.616891  1
  Ta  Ta117  1  0.053966  0.720740  0.616892  1
  Ta  Ta118  1  0.867190  0.200973  0.625265  1
  Ta  Ta119  1  0.200145  0.868018  0.625266  1
  Ta  Ta120  1  0.240060  0.240903  0.608652  1
  Ta  Ta121  1  0.611968  0.279698  0.591357  1
  Ta  Ta122  1  0.945509  0.946361  0.591417  1
  Ta  Ta123  1  0.278845  0.612822  0.591357  1
  Ta  Ta124  1  0.651489  0.652354  0.574575  1
  Ta  Ta125  1  0.572751  0.907207  0.607570  1
  Ta  Ta126  1  0.906370  0.573586  0.607570  1
  Ta  Ta127  1  0.014530  0.348384  0.633424  1
  Ta  Ta128  1  0.347565  0.015350  0.633424  1
  Ta  Ta129  1  0.269395  0.270198  0.668691  1
  Ta  Ta130  1  0.641270  0.307810  0.649772  1
  Ta  Ta131  1  0.974387  0.975191  0.650004  1
  Ta  Ta132  1  0.307004  0.642077  0.649772  1
  Ta  Ta133  1  0.681018  0.681838  0.633227  1
  Ta  Ta134  1  0.602179  0.935634  0.665287  1
  Ta  Ta135  1  0.934845  0.602967  0.665287  1
  Ta  Ta136  1  0.749776  0.084225  0.676761  1
  Ta  Ta137  1  0.083425  0.750576  0.676762  1
  Ta  Ta138  1  0.121891  0.122679  0.657401  1
  Ta  Ta139  1  0.493098  0.163096  0.641840  1
  Ta  Ta140  1  0.828513  0.829331  0.641653  1
  Ta  Ta141  1  0.162279  0.493913  0.641840  1
  Ta  Ta142  1  0.533819  0.534648  0.625181  1
  Ta  Ta143  1  0.454460  0.788195  0.657755  1
  Ta  Ta144  1  0.787401  0.455253  0.657755  1
  Ta  Ta145  1  0.898864  0.232186  0.684073  1
  Ta  Ta146  1  0.231416  0.899641  0.684075  1
  Ta  Ta147  1  0.146712  0.147411  0.711882  1
  Ta  Ta148  1  0.522734  0.189803  0.698660  1
  Ta  Ta149  1  0.856203  0.856975  0.699566  1
  Ta  Ta150  1  0.189036  0.523487  0.698660  1
  Ta  Ta151  1  0.565640  0.566416  0.684073  1
  Ta  Ta152  1  0.481536  0.813170  0.713510  1
  Ta  Ta153  1  0.812459  0.482254  0.713510  1
  Ta  Ta154  1  0.623183  0.960156  0.719912  1
  Ta  Ta155  1  0.959452  0.623893  0.719912  1
  Ta  Ta156  1  0.003126  0.003844  0.705649  1
  Ta  Ta157  1  0.380209  0.041679  0.691817  1
  Ta  Ta158  1  0.712202  0.712975  0.692204  1
  Ta  Ta159  1  0.040905  0.380973  0.691819  1
  Ta  Ta160  1  0.418870  0.419667  0.675871  1
  Ta  Ta161  1  0.335361  0.669174  0.705374  1
  Ta  Ta162  1  0.668458  0.336084  0.705374  1
