# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.83030437
_cell_length_b   11.82364637
_cell_length_c   47.91467298
_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   6377.02679553
_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  0.834558  0.169535  0.290153  1
  Ta  Ta2  1  0.170830  0.836151  0.289587  1
  Ta  Ta3  1  0.084965  0.086700  0.318545  1
  Ta  Ta4  1  0.464203  0.129938  0.304990  1
  Ta  Ta5  1  0.794970  0.799201  0.304985  1
  Ta  Ta6  1  0.128346  0.463306  0.304736  1
  Ta  Ta7  1  0.501133  0.505838  0.289588  1
  Ta  Ta8  1  0.417862  0.752842  0.318616  1
  Ta  Ta9  1  0.751717  0.419933  0.318544  1
  Ta  Ta10  1  0.564488  0.899440  0.326761  1
  Ta  Ta11  1  0.022735  0.690834  0.282249  1
  Ta  Ta12  1  0.944872  0.937723  0.311734  1
  Ta  Ta13  1  0.316420  0.984250  0.297508  1
  Ta  Ta14  1  0.649230  0.651428  0.297509  1
  Ta  Ta15  1  0.981863  0.316886  0.297212  1
  Ta  Ta16  1  0.355837  0.357720  0.282249  1
  Ta  Ta17  1  0.271501  0.606476  0.310772  1
  Ta  Ta18  1  0.602751  0.279825  0.311731  1
  Ta  Ta19  1  0.714417  0.049363  0.333201  1
  Ta  Ta20  1  0.049159  0.716768  0.336339  1
  Ta  Ta21  1  0.969411  0.972179  0.368227  1
  Ta  Ta22  1  0.343055  0.011922  0.352073  1
  Ta  Ta23  1  0.676998  0.677984  0.352072  1
  Ta  Ta24  1  0.009543  0.344478  0.351794  1
  Ta  Ta25  1  0.381828  0.384106  0.336339  1
  Ta  Ta26  1  0.303467  0.638374  0.368311  1
  Ta  Ta27  1  0.637271  0.304317  0.368224  1
  Ta  Ta28  1  0.450616  0.785513  0.376422  1
  Ta  Ta29  1  0.899859  0.569405  0.325210  1
  Ta  Ta30  1  0.822305  0.825740  0.360121  1
  Ta  Ta31  1  0.196703  0.864682  0.344100  1
  Ta  Ta32  1  0.529742  0.531648  0.344100  1
  Ta  Ta33  1  0.862345  0.197288  0.344059  1
  Ta  Ta34  1  0.234447  0.234811  0.325213  1
  Ta  Ta35  1  0.155959  0.490869  0.360298  1
  Ta  Ta36  1  0.490824  0.157221  0.360124  1
  Ta  Ta37  1  0.597561  0.932445  0.384614  1
  Ta  Ta38  1  0.930262  0.599008  0.384790  1
  Ta  Ta39  1  0.851907  0.854446  0.418956  1
  Ta  Ta40  1  0.225197  0.893625  0.402292  1
  Ta  Ta41  1  0.558751  0.560071  0.402292  1
  Ta  Ta42  1  0.891564  0.226440  0.402096  1
  Ta  Ta43  1  0.264119  0.265151  0.384791  1
  Ta  Ta44  1  0.185569  0.520424  0.419166  1
  Ta  Ta45  1  0.519591  0.186762  0.418956  1
  Ta  Ta46  1  0.332723  0.667572  0.427493  1
  Ta  Ta47  1  0.784056  0.452069  0.376235  1
  Ta  Ta48  1  0.705527  0.707223  0.410511  1
  Ta  Ta49  1  0.077695  0.746331  0.394045  1
  Ta  Ta50  1  0.411450  0.412577  0.394045  1
  Ta  Ta51  1  0.744191  0.079073  0.393154  1
  Ta  Ta52  1  0.117171  0.118955  0.376236  1
  Ta  Ta53  1  0.038709  0.373576  0.410415  1
  Ta  Ta54  1  0.372359  0.040391  0.410511  1
  Ta  Ta55  1  0.479776  0.814615  0.435735  1
  Ta  Ta56  1  0.813112  0.481194  0.435688  1
  Ta  Ta57  1  0.734519  0.736039  0.469423  1
  Ta  Ta58  1  0.106984  0.775350  0.452722  1
  Ta  Ta59  1  0.440526  0.441808  0.452721  1
  Ta  Ta60  1  0.773687  0.108511  0.452550  1
  Ta  Ta61  1  0.146353  0.147954  0.435689  1
  Ta  Ta62  1  0.067798  0.402606  0.469411  1
  Ta  Ta63  1  0.401233  0.069326  0.469424  1
  Ta  Ta64  1  0.214796  0.549595  0.477957  1
  Ta  Ta65  1  0.666192  0.334098  0.427396  1
  Ta  Ta66  1  0.587610  0.588962  0.461052  1
  Ta  Ta67  1  0.959842  0.628308  0.444165  1
  Ta  Ta68  1  0.293476  0.294674  0.444166  1
  Ta  Ta69  1  0.626686  0.961516  0.444122  1
  Ta  Ta70  1  0.999250  1.001041  0.427397  1
  Ta  Ta71  1  0.920780  0.255596  0.460971  1
  Ta  Ta72  1  0.254146  0.922426  0.461052  1
  Ta  Ta73  1  0.361868  0.696659  0.486321  1
  Ta  Ta74  1  0.695286  0.363263  0.486306  1
  Ta  Ta75  1  0.616711  0.617994  0.519921  1
  Ta  Ta76  1  0.989232  0.657346  0.503152  1
  Ta  Ta77  1  0.322572  0.324006  0.503152  1
  Ta  Ta78  1  0.655913  0.990686  0.503136  1
  Ta  Ta79  1  0.028473  0.030077  0.486306  1
  Ta  Ta80  1  0.949956  0.284714  0.519926  1
  Ta  Ta81  1  0.283236  0.951469  0.519922  1
  Ta  Ta82  1  0.096946  0.431697  0.528413  1
  Ta  Ta83  1  0.548301  0.216200  0.477898  1
  Ta  Ta84  1  0.469638  0.470966  0.511581  1
  Ta  Ta85  1  0.842293  0.510318  0.494680  1
  Ta  Ta86  1  0.175536  0.177076  0.494680  1
  Ta  Ta87  1  0.508913  0.843695  0.494665  1
  Ta  Ta88  1  0.881402  0.883099  0.477898  1
  Ta  Ta89  1  0.802913  0.137678  0.511562  1
  Ta  Ta90  1  0.136200  0.804404  0.511581  1
  Ta  Ta91  1  0.243909  0.578651  0.536840  1
  Ta  Ta92  1  0.577295  0.245411  0.536855  1
  Ta  Ta93  1  0.498777  0.500050  0.570496  1
  Ta  Ta94  1  0.871580  0.539463  0.553682  1
  Ta  Ta95  1  0.204738  0.206305  0.553682  1
  Ta  Ta96  1  0.538081  0.872807  0.553510  1
  Ta  Ta97  1  0.910670  0.912036  0.536855  1
  Ta  Ta98  1  0.832082  0.166788  0.570536  1
  Ta  Ta99  1  0.165343  0.833485  0.570497  1
  Ta  Ta100  1  0.979131  0.313831  0.578826  1
  Ta  Ta101  1  0.430224  0.098536  0.528361  1
  Ta  Ta102  1  0.351636  0.353305  0.562160  1
  Ta  Ta103  1  0.724441  0.392379  0.545223  1
  Ta  Ta104  1  0.057648  0.059173  0.545223  1
  Ta  Ta105  1  0.390947  0.725680  0.545148  1
  Ta  Ta106  1  0.763787  0.764973  0.528361  1
  Ta  Ta107  1  0.685130  0.019844  0.562117  1
  Ta  Ta108  1  0.018588  0.686353  0.562161  1
  Ta  Ta109  1  0.125947  0.460640  0.587442  1
  Ta  Ta110  1  0.458939  0.128016  0.587261  1
  Ta  Ta111  1  0.380614  0.382479  0.621658  1
  Ta  Ta112  1  0.753680  0.421485  0.604026  1
  Ta  Ta113  1  0.086812  0.088352  0.604027  1
  Ta  Ta114  1  0.419848  0.754524  0.603847  1
  Ta  Ta115  1  0.793323  0.793631  0.587261  1
  Ta  Ta116  1  0.714586  0.049243  0.621472  1
  Ta  Ta117  1  0.047817  0.715276  0.621659  1
  Ta  Ta118  1  0.861252  0.195900  0.629963  1
  Ta  Ta119  1  0.312347  0.980653  0.578765  1
  Ta  Ta120  1  0.234097  0.235868  0.613074  1
  Ta  Ta121  1  0.606236  0.274414  0.595769  1
  Ta  Ta122  1  0.939733  0.940917  0.595769  1
  Ta  Ta123  1  0.272763  0.607448  0.595663  1
  Ta  Ta124  1  0.645953  0.647047  0.578765  1
  Ta  Ta125  1  0.567245  0.901913  0.612131  1
  Ta  Ta126  1  0.901201  0.568766  0.613074  1
  Ta  Ta127  1  0.008556  0.343198  0.637795  1
  Ta  Ta128  1  0.341258  0.010473  0.637874  1
  Ta  Ta129  1  0.264652  0.265278  0.672855  1
  Ta  Ta130  1  0.635615  0.302988  0.654210  1
  Ta  Ta131  1  0.968371  0.970226  0.654211  1
  Ta  Ta132  1  0.301615  0.636236  0.653903  1
  Ta  Ta133  1  0.675830  0.675900  0.637872  1
  Ta  Ta134  1  0.596615  0.931226  0.669617  1
  Ta  Ta135  1  0.930674  0.599264  0.672854  1
  Ta  Ta136  1  0.744325  0.078908  0.681030  1
  Ta  Ta137  1  0.194477  0.862697  0.629781  1
  Ta  Ta138  1  0.116051  0.117046  0.662000  1
  Ta  Ta139  1  0.487843  0.157716  0.646039  1
  Ta  Ta140  1  0.823082  0.822477  0.646042  1
  Ta  Ta141  1  0.154863  0.489491  0.646114  1
  Ta  Ta142  1  0.528047  0.529127  0.629779  1
  Ta  Ta143  1  0.448477  0.783083  0.661999  1
  Ta  Ta144  1  0.782442  0.450660  0.662000  1
  Ta  Ta145  1  0.892802  0.227381  0.687551  1
  Ta  Ta146  1  0.226924  0.894950  0.687489  1
  Ta  Ta147  1  0.144835  0.142843  0.716008  1
  Ta  Ta148  1  0.514743  0.185077  0.701175  1
  Ta  Ta149  1  0.850497  0.849293  0.701180  1
  Ta  Ta150  1  0.181916  0.516445  0.700771  1
  Ta  Ta151  1  0.560370  0.561491  0.687488  1
  Ta  Ta152  1  0.475313  0.809850  0.716646  1
  Ta  Ta153  1  0.808269  0.479402  0.716008  1
  Ta  Ta154  1  0.622183  0.956738  0.723683  1
  Ta  Ta155  1  0.080933  0.747918  0.679481  1
  Ta  Ta156  1  0.996581  0.997110  0.708699  1
  Ta  Ta157  1  0.376183  0.035042  0.694320  1
  Ta  Ta158  1  0.700446  0.710761  0.694317  1
  Ta  Ta159  1  0.035728  0.370327  0.693390  1
  Ta  Ta160  1  0.413337  0.415520  0.679478  1
  Ta  Ta161  1  0.328891  0.663433  0.708378  1
  Ta  Ta162  1  0.662571  0.331109  0.708700  1
