# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.85742623
_cell_length_b   11.85440671
_cell_length_c   47.99804203
_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   6419.42514965
_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  0.564336  0.898560  0.325403  1
  Ta  Ta2  1  0.023773  0.694314  0.281364  1
  Ta  Ta3  1  0.942306  0.937247  0.309457  1
  Ta  Ta4  1  0.314762  0.982124  0.295902  1
  Ta  Ta5  1  0.647858  0.649034  0.295902  1
  Ta  Ta6  1  0.980095  0.314365  0.295627  1
  Ta  Ta7  1  0.360040  0.358051  0.281364  1
  Ta  Ta8  1  0.271009  0.605246  0.309071  1
  Ta  Ta9  1  0.603004  0.276542  0.309458  1
  Ta  Ta10  1  0.836515  0.170796  0.289394  1
  Ta  Ta11  1  0.170763  0.835954  0.287766  1
  Ta  Ta12  1  0.084346  0.086035  0.317201  1
  Ta  Ta13  1  0.460477  0.128419  0.302615  1
  Ta  Ta14  1  0.794178  0.794726  0.302616  1
  Ta  Ta15  1  0.127009  0.461247  0.301710  1
  Ta  Ta16  1  0.501684  0.505036  0.287766  1
  Ta  Ta17  1  0.417571  0.751806  0.317202  1
  Ta  Ta18  1  0.751795  0.418581  0.317200  1
  Ta  Ta19  1  0.449382  0.783586  0.376092  1
  Ta  Ta20  1  0.899782  0.567650  0.324513  1
  Ta  Ta21  1  0.820924  0.824318  0.359434  1
  Ta  Ta22  1  0.195807  0.862974  0.343520  1
  Ta  Ta23  1  0.528748  0.530032  0.343520  1
  Ta  Ta24  1  0.861318  0.195546  0.343873  1
  Ta  Ta25  1  0.233429  0.234003  0.324514  1
  Ta  Ta26  1  0.154690  0.488901  0.359621  1
  Ta  Ta27  1  0.490105  0.155135  0.359434  1
  Ta  Ta28  1  0.713810  0.048030  0.332583  1
  Ta  Ta29  1  0.048363  0.715258  0.335988  1
  Ta  Ta30  1  0.968672  0.969848  0.367849  1
  Ta  Ta31  1  0.341935  0.010419  0.351503  1
  Ta  Ta32  1  0.676201  0.676153  0.351502  1
  Ta  Ta33  1  0.008818  0.343038  0.351271  1
  Ta  Ta34  1  0.381029  0.382591  0.335988  1
  Ta  Ta35  1  0.302185  0.636394  0.368046  1
  Ta  Ta36  1  0.635637  0.302882  0.367850  1
  Ta  Ta37  1  0.331705  0.665888  0.426697  1
  Ta  Ta38  1  0.783056  0.450216  0.376008  1
  Ta  Ta39  1  0.704351  0.705418  0.409916  1
  Ta  Ta40  1  0.076829  0.744649  0.393703  1
  Ta  Ta41  1  0.410449  0.411029  0.393704  1
  Ta  Ta42  1  0.743138  0.077334  0.392620  1
  Ta  Ta43  1  0.116011  0.117261  0.376008  1
  Ta  Ta44  1  0.037687  0.371879  0.409856  1
  Ta  Ta45  1  0.371228  0.038541  0.409916  1
  Ta  Ta46  1  0.596384  0.930583  0.384214  1
  Ta  Ta47  1  0.929233  0.597496  0.384382  1
  Ta  Ta48  1  0.850932  0.852435  0.418178  1
  Ta  Ta49  1  0.224053  0.891840  0.401741  1
  Ta  Ta50  1  0.557645  0.558248  0.401741  1
  Ta  Ta51  1  0.890686  0.224882  0.401790  1
  Ta  Ta52  1  0.263295  0.263433  0.384382  1
  Ta  Ta53  1  0.184451  0.518638  0.418277  1
  Ta  Ta54  1  0.518249  0.185118  0.418178  1
  Ta  Ta55  1  0.213821  0.547982  0.476911  1
  Ta  Ta56  1  0.665095  0.332374  0.426574  1
  Ta  Ta57  1  0.586650  0.587389  0.460207  1
  Ta  Ta58  1  0.958911  0.626612  0.443329  1
  Ta  Ta59  1  0.292437  0.293086  0.443329  1
  Ta  Ta60  1  0.625689  0.959863  0.443208  1
  Ta  Ta61  1  0.998191  0.999278  0.426574  1
  Ta  Ta62  1  0.919883  0.254051  0.460218  1
  Ta  Ta63  1  0.253221  0.920818  0.460207  1
  Ta  Ta64  1  0.478747  0.812925  0.434896  1
  Ta  Ta65  1  0.812096  0.479578  0.434906  1
  Ta  Ta66  1  0.733586  0.734429  0.468516  1
  Ta  Ta67  1  0.106089  0.773752  0.451959  1
  Ta  Ta68  1  0.439580  0.440260  0.451959  1
  Ta  Ta69  1  0.772672  0.106843  0.451621  1
  Ta  Ta70  1  0.145399  0.146276  0.434906  1
  Ta  Ta71  1  0.066872  0.401036  0.468518  1
  Ta  Ta72  1  0.400265  0.067750  0.468516  1
  Ta  Ta73  1  0.096111  0.430248  0.527200  1
  Ta  Ta74  1  0.547301  0.214597  0.476864  1
  Ta  Ta75  1  0.468757  0.469486  0.510483  1
  Ta  Ta76  1  0.841382  0.508800  0.493651  1
  Ta  Ta77  1  0.174648  0.175534  0.493651  1
  Ta  Ta78  1  0.507975  0.842127  0.493545  1
  Ta  Ta79  1  0.880438  0.881461  0.476864  1
  Ta  Ta80  1  0.802006  0.136151  0.510379  1
  Ta  Ta81  1  0.135342  0.802901  0.510483  1
  Ta  Ta82  1  0.360927  0.695083  0.485278  1
  Ta  Ta83  1  0.694311  0.361685  0.485229  1
  Ta  Ta84  1  0.615858  0.616548  0.518791  1
  Ta  Ta85  1  0.988332  0.655826  0.502071  1
  Ta  Ta86  1  0.321677  0.322481  0.502071  1
  Ta  Ta87  1  0.655003  0.989152  0.501974  1
  Ta  Ta88  1  0.027529  0.028467  0.485229  1
  Ta  Ta89  1  0.949134  0.283275  0.518838  1
  Ta  Ta90  1  0.282407  0.950000  0.518791  1
  Ta  Ta91  1  0.978465  0.312580  0.577522  1
  Ta  Ta92  1  0.429405  0.097070  0.527168  1
  Ta  Ta93  1  0.350895  0.351842  0.560834  1
  Ta  Ta94  1  0.723534  0.390895  0.543810  1
  Ta  Ta95  1  0.056766  0.057663  0.543810  1
  Ta  Ta96  1  0.390099  0.724229  0.543820  1
  Ta  Ta97  1  0.762933  0.763542  0.527168  1
  Ta  Ta98  1  0.684309  0.018432  0.560714  1
  Ta  Ta99  1  0.017719  0.685018  0.560834  1
  Ta  Ta100  1  0.243054  0.577188  0.535526  1
  Ta  Ta101  1  0.576437  0.243906  0.535528  1
  Ta  Ta102  1  0.497969  0.498693  0.569120  1
  Ta  Ta103  1  0.870760  0.538078  0.552401  1
  Ta  Ta104  1  0.203952  0.204886  0.552401  1
  Ta  Ta105  1  0.537189  0.871315  0.552052  1
  Ta  Ta106  1  0.909772  0.910570  0.535528  1
  Ta  Ta107  1  0.831255  0.165373  0.569109  1
  Ta  Ta108  1  0.164575  0.832087  0.569120  1
  Ta  Ta109  1  0.860510  0.194601  0.627947  1
  Ta  Ta110  1  0.311636  0.979325  0.577411  1
  Ta  Ta111  1  0.233416  0.234437  0.611379  1
  Ta  Ta112  1  0.605476  0.273092  0.594135  1
  Ta  Ta113  1  0.938986  0.939582  0.594135  1
  Ta  Ta114  1  0.272147  0.606254  0.594052  1
  Ta  Ta115  1  0.645210  0.645750  0.577411  1
  Ta  Ta116  1  0.566335  0.900433  0.610255  1
  Ta  Ta117  1  0.900335  0.567517  0.611379  1
  Ta  Ta118  1  0.125294  0.459406  0.585872  1
  Ta  Ta119  1  0.458467  0.126567  0.585834  1
  Ta  Ta120  1  0.379892  0.381333  0.619810  1
  Ta  Ta121  1  0.752815  0.420009  0.602178  1
  Ta  Ta122  1  0.085907  0.086916  0.602178  1
  Ta  Ta123  1  0.419187  0.753289  0.602224  1
  Ta  Ta124  1  0.792455  0.792578  0.585834  1
  Ta  Ta125  1  0.713613  0.047709  0.619644  1
  Ta  Ta126  1  0.047234  0.713990  0.619810  1
  Ta  Ta127  1  0.743215  0.077287  0.679420  1
  Ta  Ta128  1  0.193835  0.861621  0.627876  1
  Ta  Ta129  1  0.115336  0.115732  0.660070  1
  Ta  Ta130  1  0.486679  0.156790  0.644516  1
  Ta  Ta131  1  0.822704  0.820765  0.644516  1
  Ta  Ta132  1  0.153902  0.487986  0.644504  1
  Ta  Ta133  1  0.527529  0.527927  0.627875  1
  Ta  Ta134  1  0.447445  0.781519  0.660411  1
  Ta  Ta135  1  0.781661  0.449407  0.660070  1
  Ta  Ta136  1  0.007960  0.342049  0.636265  1
  Ta  Ta137  1  0.341124  0.008912  0.636101  1
  Ta  Ta138  1  0.263165  0.263815  0.671348  1
  Ta  Ta139  1  0.634875  0.301427  0.652547  1
  Ta  Ta140  1  0.967349  0.968952  0.652547  1
  Ta  Ta141  1  0.300806  0.634884  0.652323  1
  Ta  Ta142  1  0.674823  0.675212  0.636101  1
  Ta  Ta143  1  0.595314  0.929385  0.667817  1
  Ta  Ta144  1  0.929734  0.597244  0.671348  1
  Ta  Ta145  1  0.617846  0.951863  0.722413  1
  Ta  Ta146  1  0.078857  0.746044  0.678625  1
  Ta  Ta147  1  0.995526  0.996015  0.708205  1
  Ta  Ta148  1  0.373747  0.035343  0.694473  1
  Ta  Ta149  1  0.701279  0.707806  0.694474  1
  Ta  Ta150  1  0.035936  0.369997  0.694094  1
  Ta  Ta151  1  0.411976  0.412928  0.678624  1
  Ta  Ta152  1  0.327541  0.661567  0.707930  1
  Ta  Ta153  1  0.661988  0.329556  0.708205  1
  Ta  Ta154  1  0.891629  0.225690  0.686807  1
  Ta  Ta155  1  0.225080  0.893292  0.686818  1
  Ta  Ta156  1  0.140129  0.138649  0.714656  1
  Ta  Ta157  1  0.516604  0.182787  0.701391  1
  Ta  Ta158  1  0.848733  0.850650  0.701391  1
  Ta  Ta159  1  0.182714  0.516750  0.700073  1
  Ta  Ta160  1  0.559230  0.559140  0.686818  1
  Ta  Ta161  1  0.472993  0.807023  0.716235  1
  Ta  Ta162  1  0.804627  0.474152  0.714656  1
