# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.89983036
_cell_length_b   11.88485601
_cell_length_c   47.87591740
_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   6442.4961373
_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  0.833870  0.168734  0.289686  1
  Ta  Ta2  1  0.171989  0.836550  0.288151  1
  Ta  Ta3  1  0.084362  0.084964  0.318716  1
  Ta  Ta4  1  0.466019  0.125821  0.303632  1
  Ta  Ta5  1  0.791143  0.800757  0.303634  1
  Ta  Ta6  1  0.126196  0.460847  0.303587  1
  Ta  Ta7  1  0.501667  0.506860  0.288148  1
  Ta  Ta8  1  0.415812  0.750530  0.318796  1
  Ta  Ta9  1  0.750215  0.419080  0.318722  1
  Ta  Ta10  1  0.561993  0.896610  0.327505  1
  Ta  Ta11  1  0.022058  0.692463  0.281545  1
  Ta  Ta12  1  0.943034  0.936977  0.311447  1
  Ta  Ta13  1  0.316855  0.983488  0.296390  1
  Ta  Ta14  1  0.648621  0.651727  0.296391  1
  Ta  Ta15  1  0.980330  0.315291  0.295895  1
  Ta  Ta16  1  0.357652  0.356873  0.281541  1
  Ta  Ta17  1  0.269861  0.604584  0.310732  1
  Ta  Ta18  1  0.602245  0.277735  0.311441  1
  Ta  Ta19  1  0.711834  0.046440  0.334165  1
  Ta  Ta20  1  0.046481  0.713620  0.336754  1
  Ta  Ta21  1  0.967178  0.968709  0.369481  1
  Ta  Ta22  1  0.340007  0.008914  0.352915  1
  Ta  Ta23  1  0.674311  0.674602  0.352911  1
  Ta  Ta24  1  0.007237  0.341841  0.352330  1
  Ta  Ta25  1  0.378986  0.381127  0.336755  1
  Ta  Ta26  1  0.300277  0.634850  0.369472  1
  Ta  Ta27  1  0.634128  0.301758  0.369480  1
  Ta  Ta28  1  0.447365  0.781900  0.377608  1
  Ta  Ta29  1  0.897254  0.568105  0.325901  1
  Ta  Ta30  1  0.819550  0.822933  0.361135  1
  Ta  Ta31  1  0.194031  0.861293  0.344891  1
  Ta  Ta32  1  0.526629  0.528674  0.344887  1
  Ta  Ta33  1  0.859442  0.194097  0.344591  1
  Ta  Ta34  1  0.233509  0.231872  0.325910  1
  Ta  Ta35  1  0.153120  0.487706  0.361266  1
  Ta  Ta36  1  0.488354  0.154136  0.361132  1
  Ta  Ta37  1  0.594593  0.929111  0.385842  1
  Ta  Ta38  1  0.927542  0.596033  0.385576  1
  Ta  Ta39  1  0.849419  0.851168  0.419625  1
  Ta  Ta40  1  0.222272  0.890503  0.403079  1
  Ta  Ta41  1  0.556007  0.556763  0.403077  1
  Ta  Ta42  1  0.888987  0.223478  0.402893  1
  Ta  Ta43  1  0.261521  0.262054  0.385578  1
  Ta  Ta44  1  0.182849  0.517305  0.419671  1
  Ta  Ta45  1  0.516717  0.183870  0.419622  1
  Ta  Ta46  1  0.330069  0.664502  0.428035  1
  Ta  Ta47  1  0.781576  0.448729  0.377355  1
  Ta  Ta48  1  0.702873  0.703848  0.411288  1
  Ta  Ta49  1  0.075037  0.743123  0.394863  1
  Ta  Ta50  1  0.408601  0.409557  0.394864  1
  Ta  Ta51  1  0.741510  0.076008  0.393907  1
  Ta  Ta52  1  0.114188  0.116118  0.377355  1
  Ta  Ta53  1  0.036027  0.370491  0.411063  1
  Ta  Ta54  1  0.369382  0.037342  0.411290  1
  Ta  Ta55  1  0.477158  0.811566  0.436278  1
  Ta  Ta56  1  0.810673  0.478145  0.436209  1
  Ta  Ta57  1  0.732183  0.733065  0.469841  1
  Ta  Ta58  1  0.104507  0.772409  0.453222  1
  Ta  Ta59  1  0.438031  0.438884  0.453221  1
  Ta  Ta60  1  0.771165  0.105536  0.452922  1
  Ta  Ta61  1  0.143738  0.145080  0.436209  1
  Ta  Ta62  1  0.065376  0.399707  0.469763  1
  Ta  Ta63  1  0.398731  0.066518  0.469842  1
  Ta  Ta64  1  0.212365  0.546682  0.478210  1
  Ta  Ta65  1  0.663669  0.331053  0.427978  1
  Ta  Ta66  1  0.585200  0.586008  0.461516  1
  Ta  Ta67  1  0.957351  0.625231  0.444570  1
  Ta  Ta68  1  0.290842  0.291740  0.444571  1
  Ta  Ta69  1  0.624170  0.958561  0.444636  1
  Ta  Ta70  1  0.996620  0.998102  0.427978  1
  Ta  Ta71  1  0.918354  0.252707  0.461448  1
  Ta  Ta72  1  0.251654  0.919554  0.461517  1
  Ta  Ta73  1  0.359492  0.693788  0.486564  1
  Ta  Ta74  1  0.692968  0.360387  0.486567  1
  Ta  Ta75  1  0.614569  0.615233  0.520051  1
  Ta  Ta76  1  0.986944  0.654533  0.503318  1
  Ta  Ta77  1  0.320276  0.321202  0.503318  1
  Ta  Ta78  1  0.653659  0.987918  0.503346  1
  Ta  Ta79  1  0.026091  0.027264  0.486568  1
  Ta  Ta80  1  0.947762  0.281980  0.520069  1
  Ta  Ta81  1  0.281015  0.948787  0.520052  1
  Ta  Ta82  1  0.094771  0.428970  0.528435  1
  Ta  Ta83  1  0.545909  0.213327  0.478219  1
  Ta  Ta84  1  0.467432  0.468173  0.511745  1
  Ta  Ta85  1  0.840042  0.507479  0.494941  1
  Ta  Ta86  1  0.173204  0.174317  0.494942  1
  Ta  Ta87  1  0.506592  0.840866  0.494874  1
  Ta  Ta88  1  0.879011  0.880226  0.478220  1
  Ta  Ta89  1  0.800658  0.134896  0.511692  1
  Ta  Ta90  1  0.133933  0.801672  0.511745  1
  Ta  Ta91  1  0.241765  0.575945  0.536761  1
  Ta  Ta92  1  0.575244  0.242642  0.536847  1
  Ta  Ta93  1  0.496896  0.497380  0.570339  1
  Ta  Ta94  1  0.869575  0.536832  0.553694  1
  Ta  Ta95  1  0.202688  0.203719  0.553694  1
  Ta  Ta96  1  0.536021  0.870158  0.553374  1
  Ta  Ta97  1  0.908460  0.909427  0.536848  1
  Ta  Ta98  1  0.830051  0.164157  0.570430  1
  Ta  Ta99  1  0.163276  0.831001  0.570340  1
  Ta  Ta100  1  0.977161  0.311242  0.578672  1
  Ta  Ta101  1  0.428075  0.095853  0.528441  1
  Ta  Ta102  1  0.349675  0.350620  0.562041  1
  Ta  Ta103  1  0.722377  0.389643  0.545151  1
  Ta  Ta104  1  0.055483  0.056537  0.545152  1
  Ta  Ta105  1  0.388845  0.723003  0.545057  1
  Ta  Ta106  1  0.761654  0.762273  0.528440  1
  Ta  Ta107  1  0.683153  0.017281  0.562102  1
  Ta  Ta108  1  0.016495  0.683801  0.562041  1
  Ta  Ta109  1  0.124093  0.458162  0.587071  1
  Ta  Ta110  1  0.457315  0.125362  0.587028  1
  Ta  Ta111  1  0.378996  0.380226  0.620876  1
  Ta  Ta112  1  0.751884  0.418777  0.603642  1
  Ta  Ta113  1  0.084758  0.085906  0.603644  1
  Ta  Ta114  1  0.418146  0.752163  0.603408  1
  Ta  Ta115  1  0.791299  0.791378  0.587025  1
  Ta  Ta116  1  0.712608  0.046610  0.621127  1
  Ta  Ta117  1  0.046231  0.712995  0.620879  1
  Ta  Ta118  1  0.859280  0.193243  0.629280  1
  Ta  Ta119  1  0.310343  0.978183  0.578581  1
  Ta  Ta120  1  0.232335  0.233285  0.612677  1
  Ta  Ta121  1  0.604604  0.271784  0.595463  1
  Ta  Ta122  1  0.937739  0.938653  0.595465  1
  Ta  Ta123  1  0.271053  0.605097  0.595222  1
  Ta  Ta124  1  0.644103  0.644423  0.578580  1
  Ta  Ta125  1  0.565466  0.899461  0.611676  1
  Ta  Ta126  1  0.899266  0.566354  0.612677  1
  Ta  Ta127  1  0.006530  0.340472  0.637086  1
  Ta  Ta128  1  0.340020  0.007586  0.637035  1
  Ta  Ta129  1  0.262550  0.262413  0.672299  1
  Ta  Ta130  1  0.633818  0.300142  0.653987  1
  Ta  Ta131  1  0.966253  0.967716  0.653992  1
  Ta  Ta132  1  0.300179  0.634080  0.653361  1
  Ta  Ta133  1  0.673644  0.673962  0.637034  1
  Ta  Ta134  1  0.594486  0.928365  0.669660  1
  Ta  Ta135  1  0.928491  0.596478  0.672300  1
  Ta  Ta136  1  0.741324  0.075198  0.680912  1
  Ta  Ta137  1  0.192729  0.860799  0.628984  1
  Ta  Ta138  1  0.114635  0.114568  0.661916  1
  Ta  Ta139  1  0.485894  0.155264  0.645525  1
  Ta  Ta140  1  0.821339  0.819829  0.645520  1
  Ta  Ta141  1  0.152861  0.486803  0.645633  1
  Ta  Ta142  1  0.526828  0.526699  0.628983  1
  Ta  Ta143  1  0.446594  0.780474  0.661532  1
  Ta  Ta144  1  0.780678  0.448502  0.661913  1
  Ta  Ta145  1  0.889332  0.223113  0.687879  1
  Ta  Ta146  1  0.224311  0.890526  0.687751  1
  Ta  Ta147  1  0.140230  0.137337  0.717045  1
  Ta  Ta148  1  0.509282  0.183156  0.703081  1
  Ta  Ta149  1  0.849340  0.843023  0.703078  1
  Ta  Ta150  1  0.177889  0.511557  0.702179  1
  Ta  Ta151  1  0.556707  0.558102  0.687755  1
  Ta  Ta152  1  0.469562  0.803238  0.718453  1
  Ta  Ta153  1  0.803637  0.473904  0.717047  1
  Ta  Ta154  1  0.617139  0.950802  0.724796  1
  Ta  Ta155  1  0.078909  0.743707  0.679438  1
  Ta  Ta156  1  0.992980  0.991789  0.710429  1
  Ta  Ta157  1  0.372002  0.032071  0.695114  1
  Ta  Ta158  1  0.698230  0.705799  0.695106  1
  Ta  Ta159  1  0.032941  0.366788  0.694559  1
  Ta  Ta160  1  0.409849  0.412769  0.679427  1
  Ta  Ta161  1  0.323318  0.656995  0.709958  1
  Ta  Ta162  1  0.658190  0.326590  0.710430  1
