# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72498979
_cell_length_b   36.22240216
_cell_length_c   48.01081773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   8217.07451678
_cell_formula_units_Z   198
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  1.003611  0.487641  0.324339  1
  Ta  Ta2  1  1.003611  0.818880  0.287765  1
  Ta  Ta3  1  1.003611  0.116464  0.375072  1
  Ta  Ta4  1  0.503611  0.674570  0.301867  1
  Ta  Ta5  1  0.503611  0.933919  0.408781  1
  Ta  Ta6  1  0.503611  0.309074  0.355618  1
  Ta  Ta7  1  1.003611  0.676866  0.415106  1
  Ta  Ta8  1  1.003611  0.027961  0.366135  1
  Ta  Ta9  1  1.003611  0.409575  0.331039  1
  Ta  Ta10  1  1.003611  0.581809  0.348387  1
  Ta  Ta11  1  1.003611  0.912422  0.291081  1
  Ta  Ta12  1  1.003611  0.206231  0.388762  1
  Ta  Ta13  1  0.503611  0.769455  0.291637  1
  Ta  Ta14  1  0.503611  0.021772  0.415896  1
  Ta  Ta15  1  0.503611  0.369874  0.319892  1
  Ta  Ta16  1  0.503611  0.600654  0.319463  1
  Ta  Ta17  1  0.503611  0.859124  0.424641  1
  Ta  Ta18  1  0.503611  0.237215  0.367392  1
  Ta  Ta19  1  1.003611  0.514025  0.379652  1
  Ta  Ta20  1  1.003611  0.866828  0.334502  1
  Ta  Ta21  1  1.003611  0.237354  0.291892  1
  Ta  Ta22  1  1.003611  0.724990  0.371089  1
  Ta  Ta23  1  1.003611  0.080595  0.323730  1
  Ta  Ta24  1  1.003611  0.369829  0.421511  1
  Ta  Ta25  1  0.503611  0.494737  0.409531  1
  Ta  Ta26  1  0.503611  0.881607  0.365241  1
  Ta  Ta27  1  0.503611  0.205263  0.316621  1
  Ta  Ta28  1  0.503611  0.727571  0.340545  1
  Ta  Ta29  1  0.503611  0.033041  0.319824  1
  Ta  Ta30  1  0.503611  0.384423  0.376898  1
  Ta  Ta31  1  1.003611  0.660297  0.343271  1
  Ta  Ta32  1  1.003611  0.990276  0.314522  1
  Ta  Ta33  1  1.003611  0.280827  0.405430  1
  Ta  Ta34  1  1.003611  0.603450  0.402272  1
  Ta  Ta35  1  1.003611  0.939518  0.356348  1
  Ta  Ta36  1  1.003611  0.324310  0.309969  1
  Ta  Ta37  1  0.503611  0.647613  0.370319  1
  Ta  Ta38  1  0.503611  0.982330  0.363339  1
  Ta  Ta39  1  0.503611  0.320209  0.412195  1
  Ta  Ta40  1  0.503611  0.569060  0.388934  1
  Ta  Ta41  1  0.503611  0.934987  0.318418  1
  Ta  Ta42  1  0.503611  0.279702  0.303598  1
  Ta  Ta43  1  1.003611  0.555217  0.296080  1
  Ta  Ta44  1  1.003611  0.818564  0.389590  1
  Ta  Ta45  1  1.003611  0.175292  0.336435  1
  Ta  Ta46  1  1.003611  0.781817  0.336221  1
  Ta  Ta47  1  1.003611  0.065136  0.420487  1
  Ta  Ta48  1  1.003611  0.435303  0.386305  1
  Ta  Ta49  1  0.503611  0.519002  0.286503  1
  Ta  Ta50  1  0.503611  0.784475  0.384047  1
  Ta  Ta51  1  0.503611  0.124707  0.328634  1
  Ta  Ta52  1  0.503611  0.818443  0.334968  1
  Ta  Ta53  1  0.503611  0.103873  0.422765  1
  Ta  Ta54  1  0.503611  0.455106  0.358809  1
  Ta  Ta55  1  1.003611  0.632152  0.291799  1
  Ta  Ta56  1  1.003611  0.890610  0.398685  1
  Ta  Ta57  1  1.003611  0.261532  0.343491  1
  Ta  Ta58  1  1.003611  0.721597  0.301548  1
  Ta  Ta59  1  1.003611  0.977665  0.410493  1
  Ta  Ta60  1  1.003611  0.345955  0.366172  1
  Ta  Ta61  1  0.503611  0.713735  0.401438  1
  Ta  Ta62  1  0.503611  0.071528  0.370051  1
  Ta  Ta63  1  0.503611  0.447495  0.303842  1
  Ta  Ta64  1  0.503611  0.527460  0.341129  1
  Ta  Ta65  1  0.503611  0.865383  0.292645  1
  Ta  Ta66  1  0.503611  0.160746  0.381437  1
  Ta  Ta67  1  1.003611  0.396705  0.476530  1
  Ta  Ta68  1  1.003611  0.753075  0.425085  1
  Ta  Ta69  1  1.003611  0.039587  0.518683  1
  Ta  Ta70  1  0.503611  0.572807  0.448185  1
  Ta  Ta71  1  0.503611  0.860854  0.544538  1
  Ta  Ta72  1  0.503611  0.219155  0.496310  1
  Ta  Ta73  1  1.003611  0.579009  0.554954  1
  Ta  Ta74  1  1.003611  0.954189  0.500525  1
  Ta  Ta75  1  1.003611  0.317624  0.469590  1
  Ta  Ta76  1  1.003611  0.484995  0.496863  1
  Ta  Ta77  1  1.003611  0.838177  0.454506  1
  Ta  Ta78  1  1.003611  0.118080  0.536735  1
  Ta  Ta79  1  0.503611  0.643946  0.431158  1
  Ta  Ta80  1  0.503611  0.932887  0.529071  1
  Ta  Ta81  1  0.503611  0.277460  0.459330  1
  Ta  Ta82  1  0.503611  0.504818  0.468981  1
  Ta  Ta83  1  0.503611  0.787433  0.559646  1
  Ta  Ta84  1  0.503611  0.146235  0.513778  1
  Ta  Ta85  1  1.003611  0.420560  0.532226  1
  Ta  Ta86  1  1.003611  0.769045  0.480044  1
  Ta  Ta87  1  1.003611  0.152530  0.427771  1
  Ta  Ta88  1  1.003611  0.634249  0.519472  1
  Ta  Ta89  1  1.003611  0.014057  0.463209  1
  Ta  Ta90  1  1.003611  0.276655  0.565029  1
  Ta  Ta91  1  0.503611  0.397796  0.569087  1
  Ta  Ta92  1  0.503611  0.752376  0.507843  1
  Ta  Ta93  1  0.503611  0.160648  0.457481  1
  Ta  Ta94  1  0.503611  0.624714  0.490726  1
  Ta  Ta95  1  0.503611  0.970411  0.459662  1
  Ta  Ta96  1  0.503611  0.297332  0.516165  1
  Ta  Ta97  1  1.003611  0.560597  0.492380  1
  Ta  Ta98  1  1.003611  0.919907  0.449612  1
  Ta  Ta99  1  1.003611  0.191809  0.543964  1
  Ta  Ta100  1  1.003611  0.505588  0.551988  1
  Ta  Ta101  1  1.003611  0.877766  0.505155  1
  Ta  Ta102  1  1.003611  0.230664  0.451942  1
  Ta  Ta103  1  0.503611  0.551308  0.520212  1
  Ta  Ta104  1  0.503611  0.897531  0.476376  1
  Ta  Ta105  1  0.503611  0.229552  0.555982  1
  Ta  Ta106  1  0.503611  0.468066  0.536860  1
  Ta  Ta107  1  0.503611  0.825103  0.492546  1
  Ta  Ta108  1  0.503611  0.220788  0.422531  1
  Ta  Ta109  1  1.003611  0.460296  0.440884  1
  Ta  Ta110  1  1.003611  0.727906  0.534469  1
  Ta  Ta111  1  1.003611  0.101369  0.477370  1
  Ta  Ta112  1  1.003611  0.690579  0.480422  1
  Ta  Ta113  1  1.003611  0.974712  0.555665  1
  Ta  Ta114  1  1.003611  0.341898  0.532980  1
  Ta  Ta115  1  0.503611  0.419805  0.427464  1
  Ta  Ta116  1  0.503611  0.682911  0.525803  1
  Ta  Ta117  1  0.503611  0.062992  0.472172  1
  Ta  Ta118  1  0.503611  0.710488  0.458799  1
  Ta  Ta119  1  0.503611  0.011610  0.567638  1
  Ta  Ta120  1  0.503611  0.373699  0.515889  1
  Ta  Ta121  1  1.003611  0.536502  0.435080  1
  Ta  Ta122  1  1.003611  0.809532  0.529517  1
  Ta  Ta123  1  1.003611  0.174911  0.488840  1
  Ta  Ta124  1  1.003611  0.620807  0.458126  1
  Ta  Ta125  1  1.003611  0.898232  0.560337  1
  Ta  Ta126  1  1.003611  0.257273  0.508609  1
  Ta  Ta127  1  0.503611  0.623168  0.562106  1
  Ta  Ta128  1  0.503611  1.002685  0.510127  1
  Ta  Ta129  1  0.503611  0.357019  0.461361  1
  Ta  Ta130  1  0.503611  0.435399  0.484676  1
  Ta  Ta131  1  0.503611  0.786883  0.441929  1
  Ta  Ta132  1  0.503611  0.076045  0.534075  1
  Ta  Ta133  1  1.003611  0.301290  0.621112  1
  Ta  Ta134  1  1.003611  0.668124  0.571405  1
  Ta  Ta135  1  1.003611  0.944153  0.669770  1
  Ta  Ta136  1  0.503611  0.480201  0.593673  1
  Ta  Ta137  1  0.503611  0.762776  0.690402  1
  Ta  Ta138  1  0.503611  0.121290  0.644700  1
  Ta  Ta139  1  1.003611  0.494140  0.695157  1
  Ta  Ta140  1  1.003611  0.851635  0.641575  1
  Ta  Ta141  1  1.003611  0.211937  0.598105  1
  Ta  Ta142  1  1.003611  0.388901  0.645785  1
  Ta  Ta143  1  1.003611  0.757823  0.586513  1
  Ta  Ta144  1  1.003611  0.017279  0.678849  1
  Ta  Ta145  1  0.503611  0.551207  0.580158  1
  Ta  Ta146  1  0.503611  0.834205  0.670791  1
  Ta  Ta147  1  0.503611  0.187717  0.620009  1
  Ta  Ta148  1  0.503611  0.419013  0.625912  1
  Ta  Ta149  1  0.503611  0.682979  0.703324  1
  Ta  Ta150  1  0.503611  0.057380  0.675077  1
  Ta  Ta151  1  1.003611  0.325857  0.676798  1
  Ta  Ta152  1  1.003611  0.702515  0.622932  1
  Ta  Ta153  1  1.003611  0.062754  0.574600  1
  Ta  Ta154  1  1.003611  0.560068  0.664770  1
  Ta  Ta155  1  1.003611  0.921910  0.615336  1
  Ta  Ta156  1  1.003611  0.182861  0.706424  1
  Ta  Ta157  1  0.503611  0.370263  0.682853  1
  Ta  Ta158  1  0.503611  0.709448  0.651302  1
  Ta  Ta159  1  0.503611  0.066876  0.605604  1
  Ta  Ta160  1  0.503611  0.580771  0.633203  1
  Ta  Ta161  1  0.503611  0.939779  0.587856  1
  Ta  Ta162  1  0.503611  0.206802  0.675261  1
  Ta  Ta163  1  1.003611  0.465826  0.643339  1
  Ta  Ta164  1  1.003611  0.830925  0.587104  1
  Ta  Ta165  1  1.003611  0.100657  0.690671  1
  Ta  Ta166  1  1.003611  0.412892  0.698415  1
  Ta  Ta167  1  1.003611  0.774651  0.648234  1
  Ta  Ta168  1  1.003611  0.131978  0.600833  1
  Ta  Ta169  1  0.503611  0.508040  0.646198  1
  Ta  Ta170  1  0.503611  0.863788  0.603937  1
  Ta  Ta171  1  0.503611  0.139571  0.700665  1
  Ta  Ta172  1  0.503611  0.447603  0.681034  1
  Ta  Ta173  1  0.503611  0.784080  0.620356  1
  Ta  Ta174  1  0.503611  0.142308  0.572999  1
  Ta  Ta175  1  1.003611  0.365311  0.589528  1
  Ta  Ta176  1  1.003611  0.645279  0.661400  1
  Ta  Ta177  1  1.003611  0.999644  0.610548  1
  Ta  Ta178  1  1.003611  0.608168  0.608312  1
  Ta  Ta179  1  1.003611  0.876557  0.694499  1
  Ta  Ta180  1  1.003611  0.239063  0.654660  1
  Ta  Ta181  1  0.503611  0.319276  0.572225  1
  Ta  Ta182  1  0.503611  0.616132  0.681189  1
  Ta  Ta183  1  0.503611  0.991441  0.637628  1
  Ta  Ta184  1  0.503611  0.651660  0.616533  1
  Ta  Ta185  1  0.503611  0.907447  0.707851  1
  Ta  Ta186  1  0.503611  0.285671  0.667614  1
  Ta  Ta187  1  1.003611  0.442133  0.587335  1
  Ta  Ta188  1  1.003611  0.717625  0.688091  1
  Ta  Ta189  1  1.003611  0.068634  0.637618  1
  Ta  Ta190  1  1.003611  0.528739  0.609515  1
  Ta  Ta191  1  1.003611  0.802231  0.700427  1
  Ta  Ta192  1  1.003611  0.161016  0.654102  1
  Ta  Ta193  1  0.503611  0.539339  0.695940  1
  Ta  Ta194  1  0.503611  0.909320  0.651514  1
  Ta  Ta195  1  0.503611  0.260875  0.612472  1
  Ta  Ta196  1  0.503611  0.343205  0.628273  1
  Ta  Ta197  1  0.503611  0.713755  0.579901  1
  Ta  Ta198  1  0.503611  0.979173  0.694077  1
