# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86802988
_cell_length_b   11.86129946
_cell_length_c   47.87051638
_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   6411.82081479
_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  0.834104  0.168564  0.289708  1
  Ta  Ta2  1  0.170988  0.836474  0.289159  1
  Ta  Ta3  1  0.084074  0.085210  0.318984  1
  Ta  Ta4  1  0.465186  0.127463  0.305091  1
  Ta  Ta5  1  0.793019  0.799658  0.305085  1
  Ta  Ta6  1  0.127554  0.461992  0.304961  1
  Ta  Ta7  1  0.501984  0.505471  0.289159  1
  Ta  Ta8  1  0.416632  0.751100  0.319129  1
  Ta  Ta9  1  0.750740  0.418531  0.318982  1
  Ta  Ta10  1  0.563135  0.897577  0.327568  1
  Ta  Ta11  1  0.021483  0.690695  0.281722  1
  Ta  Ta12  1  0.943952  0.936354  0.312095  1
  Ta  Ta13  1  0.317059  0.983631  0.297241  1
  Ta  Ta14  1  0.649144  0.651543  0.297241  1
  Ta  Ta15  1  0.981690  0.316182  0.296949  1
  Ta  Ta16  1  0.356227  0.355940  0.281722  1
  Ta  Ta17  1  0.270450  0.604912  0.311027  1
  Ta  Ta18  1  0.601897  0.278388  0.312090  1
  Ta  Ta19  1  0.713466  0.047908  0.334089  1
  Ta  Ta20  1  0.047893  0.714967  0.336694  1
  Ta  Ta21  1  0.968258  0.970331  0.369132  1
  Ta  Ta22  1  0.341326  0.010064  0.352666  1
  Ta  Ta23  1  0.675647  0.675747  0.352665  1
  Ta  Ta24  1  0.008216  0.342645  0.352347  1
  Ta  Ta25  1  0.380538  0.382328  0.336693  1
  Ta  Ta26  1  0.302026  0.636433  0.369187  1
  Ta  Ta27  1  0.635923  0.302662  0.369129  1
  Ta  Ta28  1  0.449189  0.783588  0.377376  1
  Ta  Ta29  1  0.898813  0.568220  0.325777  1
  Ta  Ta30  1  0.820961  0.823756  0.360893  1
  Ta  Ta31  1  0.195442  0.862639  0.344608  1
  Ta  Ta32  1  0.528208  0.529878  0.344608  1
  Ta  Ta33  1  0.861004  0.195436  0.344463  1
  Ta  Ta34  1  0.233768  0.233261  0.325779  1
  Ta  Ta35  1  0.154612  0.489018  0.361073  1
  Ta  Ta36  1  0.489345  0.155373  0.360895  1
  Ta  Ta37  1  0.596282  0.930669  0.385552  1
  Ta  Ta38  1  0.929039  0.597180  0.385520  1
  Ta  Ta39  1  0.850770  0.852466  0.419593  1
  Ta  Ta40  1  0.223720  0.891814  0.402947  1
  Ta  Ta41  1  0.557439  0.558095  0.402947  1
  Ta  Ta42  1  0.890360  0.224738  0.402776  1
  Ta  Ta43  1  0.262790  0.263431  0.385521  1
  Ta  Ta44  1  0.184292  0.518649  0.419712  1
  Ta  Ta45  1  0.518108  0.185128  0.419593  1
  Ta  Ta46  1  0.331467  0.665818  0.428074  1
  Ta  Ta47  1  0.782924  0.450236  0.377095  1
  Ta  Ta48  1  0.704203  0.705275  0.411186  1
  Ta  Ta49  1  0.076423  0.744518  0.394706  1
  Ta  Ta50  1  0.410138  0.410805  0.394706  1
  Ta  Ta51  1  0.742972  0.077357  0.393908  1
  Ta  Ta52  1  0.115836  0.117326  0.377096  1
  Ta  Ta53  1  0.037391  0.371761  0.411072  1
  Ta  Ta54  1  0.370909  0.038570  0.411186  1
  Ta  Ta55  1  0.478542  0.812886  0.436342  1
  Ta  Ta56  1  0.811914  0.479451  0.436266  1
  Ta  Ta57  1  0.733369  0.734324  0.469973  1
  Ta  Ta58  1  0.105805  0.773664  0.453294  1
  Ta  Ta59  1  0.439335  0.440133  0.453294  1
  Ta  Ta60  1  0.772503  0.106833  0.453095  1
  Ta  Ta61  1  0.145106  0.146261  0.436267  1
  Ta  Ta62  1  0.066630  0.400945  0.469946  1
  Ta  Ta63  1  0.400011  0.067683  0.469973  1
  Ta  Ta64  1  0.213636  0.547942  0.478433  1
  Ta  Ta65  1  0.664982  0.332340  0.427982  1
  Ta  Ta66  1  0.586434  0.587254  0.461617  1
  Ta  Ta67  1  0.958680  0.626540  0.444714  1
  Ta  Ta68  1  0.292203  0.293017  0.444715  1
  Ta  Ta69  1  0.625492  0.959827  0.444700  1
  Ta  Ta70  1  0.997988  0.999335  0.427983  1
  Ta  Ta71  1  0.919620  0.253943  0.461551  1
  Ta  Ta72  1  0.252933  0.920756  0.461617  1
  Ta  Ta73  1  0.360726  0.695025  0.486800  1
  Ta  Ta74  1  0.694150  0.361619  0.486783  1
  Ta  Ta75  1  0.615653  0.616426  0.520368  1
  Ta  Ta76  1  0.988123  0.655744  0.503608  1
  Ta  Ta77  1  0.321461  0.322407  0.503608  1
  Ta  Ta78  1  0.654818  0.989101  0.503590  1
  Ta  Ta79  1  0.027320  0.028450  0.486783  1
  Ta  Ta80  1  0.948892  0.283161  0.520376  1
  Ta  Ta81  1  0.282158  0.949922  0.520369  1
  Ta  Ta82  1  0.095904  0.430166  0.528811  1
  Ta  Ta83  1  0.547110  0.214569  0.478399  1
  Ta  Ta84  1  0.468557  0.469383  0.512028  1
  Ta  Ta85  1  0.841179  0.508695  0.495167  1
  Ta  Ta86  1  0.174403  0.175471  0.495167  1
  Ta  Ta87  1  0.507787  0.842079  0.495141  1
  Ta  Ta88  1  0.880263  0.881416  0.478399  1
  Ta  Ta89  1  0.801827  0.136103  0.512001  1
  Ta  Ta90  1  0.135107  0.802833  0.512028  1
  Ta  Ta91  1  0.242885  0.577139  0.537200  1
  Ta  Ta92  1  0.576288  0.243852  0.537228  1
  Ta  Ta93  1  0.497805  0.498554  0.570824  1
  Ta  Ta94  1  0.870559  0.537954  0.554066  1
  Ta  Ta95  1  0.203716  0.204798  0.554066  1
  Ta  Ta96  1  0.537061  0.871301  0.553860  1
  Ta  Ta97  1  0.909600  0.910540  0.537228  1
  Ta  Ta98  1  0.831095  0.165315  0.570894  1
  Ta  Ta99  1  0.164332  0.832028  0.570825  1
  Ta  Ta100  1  0.978165  0.312381  0.579171  1
  Ta  Ta101  1  0.429199  0.096976  0.528783  1
  Ta  Ta102  1  0.350679  0.351759  0.562506  1
  Ta  Ta103  1  0.723408  0.390828  0.545572  1
  Ta  Ta104  1  0.056583  0.057654  0.545572  1
  Ta  Ta105  1  0.389932  0.724178  0.545511  1
  Ta  Ta106  1  0.762715  0.763461  0.528784  1
  Ta  Ta107  1  0.684148  0.018377  0.562485  1
  Ta  Ta108  1  0.017529  0.684910  0.562507  1
  Ta  Ta109  1  0.125081  0.459289  0.587673  1
  Ta  Ta110  1  0.458218  0.126459  0.587573  1
  Ta  Ta111  1  0.379729  0.380992  0.621677  1
  Ta  Ta112  1  0.752779  0.419950  0.604270  1
  Ta  Ta113  1  0.085760  0.086969  0.604271  1
  Ta  Ta114  1  0.419043  0.753237  0.604110  1
  Ta  Ta115  1  0.792250  0.792427  0.587574  1
  Ta  Ta116  1  0.713657  0.047830  0.621679  1
  Ta  Ta117  1  0.046815  0.713908  0.621678  1
  Ta  Ta118  1  0.860258  0.194423  0.630049  1
  Ta  Ta119  1  0.311366  0.979236  0.579108  1
  Ta  Ta120  1  0.233152  0.234398  0.613255  1
  Ta  Ta121  1  0.605421  0.273005  0.596038  1
  Ta  Ta122  1  0.938807  0.939619  0.596039  1
  Ta  Ta123  1  0.271947  0.606149  0.595920  1
  Ta  Ta124  1  0.645019  0.645581  0.579107  1
  Ta  Ta125  1  0.566346  0.900534  0.612410  1
  Ta  Ta126  1  0.900215  0.567338  0.613255  1
  Ta  Ta127  1  0.007570  0.341735  0.637864  1
  Ta  Ta128  1  0.340502  0.009032  0.637912  1
  Ta  Ta129  1  0.263398  0.263563  0.673003  1
  Ta  Ta130  1  0.635005  0.301522  0.654612  1
  Ta  Ta131  1  0.967379  0.969142  0.654613  1
  Ta  Ta132  1  0.300959  0.635108  0.654278  1
  Ta  Ta133  1  0.674867  0.674664  0.637909  1
  Ta  Ta134  1  0.595675  0.929817  0.670257  1
  Ta  Ta135  1  0.929436  0.597531  0.673003  1
  Ta  Ta136  1  0.742961  0.077069  0.681487  1
  Ta  Ta137  1  0.193522  0.861451  0.629782  1
  Ta  Ta138  1  0.115315  0.115523  0.662509  1
  Ta  Ta139  1  0.487102  0.156396  0.646250  1
  Ta  Ta140  1  0.822237  0.821260  0.646253  1
  Ta  Ta141  1  0.154121  0.488274  0.646363  1
  Ta  Ta142  1  0.527283  0.527689  0.629780  1
  Ta  Ta143  1  0.447547  0.781681  0.662383  1
  Ta  Ta144  1  0.781390  0.449453  0.662509  1
  Ta  Ta145  1  0.891567  0.225676  0.688118  1
  Ta  Ta146  1  0.225798  0.893277  0.687985  1
  Ta  Ta147  1  0.142599  0.141033  0.717402  1
  Ta  Ta148  1  0.511856  0.184049  0.702094  1
  Ta  Ta149  1  0.849925  0.845951  0.702100  1
  Ta  Ta150  1  0.179718  0.513801  0.701824  1
  Ta  Ta151  1  0.559166  0.559896  0.687984  1
  Ta  Ta152  1  0.472485  0.806570  0.718007  1
  Ta  Ta153  1  0.806921  0.476708  0.717402  1
  Ta  Ta154  1  0.620415  0.954519  0.725202  1
  Ta  Ta155  1  0.079998  0.746252  0.679759  1
  Ta  Ta156  1  0.994515  0.994072  0.709956  1
  Ta  Ta157  1  0.374816  0.033244  0.694961  1
  Ta  Ta158  1  0.699110  0.708929  0.694956  1
  Ta  Ta159  1  0.034400  0.368538  0.693895  1
  Ta  Ta160  1  0.412140  0.414115  0.679756  1
  Ta  Ta161  1  0.326005  0.660091  0.709646  1
  Ta  Ta162  1  0.659991  0.328595  0.709956  1
