# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30534134
_cell_length_b   22.40329251
_cell_length_c   54.47299597
_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   Ta180
_cell_volume   6474.50308682
_cell_formula_units_Z   180
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  0.007298  0.103591  0.332363  1
  Ta  Ta2  1  0.007391  0.726896  0.253608  1
  Ta  Ta3  1  0.507449  0.803987  0.374672  1
  Ta  Ta4  1  0.507359  0.406750  0.288202  1
  Ta  Ta5  1  0.007330  0.985940  0.322209  1
  Ta  Ta6  1  0.007296  0.384496  0.405401  1
  Ta  Ta7  1  0.507386  0.828348  0.323597  1
  Ta  Ta8  1  0.507192  0.229909  0.408525  1
  Ta  Ta9  1  0.507265  0.963187  0.258179  1
  Ta  Ta10  1  0.507340  0.376795  0.338292  1
  Ta  Ta11  1  0.752418  0.840726  0.271370  1
  Ta  Ta12  1  0.007290  0.221601  0.341829  1
  Ta  Ta13  1  0.507451  0.711194  0.342715  1
  Ta  Ta14  1  0.507334  0.311741  0.258560  1
  Ta  Ta15  1  0.507451  0.895088  0.407794  1
  Ta  Ta16  1  0.507384  0.494369  0.324011  1
  Ta  Ta17  1  0.007438  0.581829  0.378596  1
  Ta  Ta18  1  0.007308  0.178198  0.293077  1
  Ta  Ta19  1  0.007322  0.025150  0.370965  1
  Ta  Ta20  1  0.007436  0.628789  0.285061  1
  Ta  Ta21  1  0.007360  0.866108  0.313081  1
  Ta  Ta22  1  0.007232  0.263183  0.392416  1
  Ta  Ta23  1  0.262026  0.840743  0.271362  1
  Ta  Ta24  1  0.507285  0.258311  0.356916  1
  Ta  Ta25  1  0.507314  0.941773  0.305783  1
  Ta  Ta26  1  0.507280  0.348060  0.390425  1
  Ta  Ta27  1  0.007268  0.953371  0.274254  1
  Ta  Ta28  1  0.007318  0.343148  0.355105  1
  Ta  Ta29  1  0.507324  0.015616  0.391785  1
  Ta  Ta30  1  0.507434  0.615114  0.309211  1
  Ta  Ta31  1  0.507431  0.590720  0.357884  1
  Ta  Ta32  1  0.507315  0.193031  0.274101  1
  Ta  Ta33  1  0.007455  0.661797  0.338421  1
  Ta  Ta34  1  0.007325  0.264768  0.259508  1
  Ta  Ta35  1  0.007407  0.944891  0.411582  1
  Ta  Ta36  1  0.007405  0.545437  0.328019  1
  Ta  Ta37  1  0.507316  0.039792  0.341203  1
  Ta  Ta38  1  0.507428  0.649336  0.262877  1
  Ta  Ta39  1  0.007442  0.782012  0.349879  1
  Ta  Ta40  1  0.007351  0.386856  0.269487  1
  Ta  Ta41  1  0.007472  0.824068  0.401126  1
  Ta  Ta42  1  0.007362  0.425764  0.316996  1
  Ta  Ta43  1  0.507449  0.565168  0.408019  1
  Ta  Ta44  1  0.507299  0.164618  0.323115  1
  Ta  Ta45  1  0.257352  0.912937  0.359715  1
  Ta  Ta46  1  0.256392  0.517717  0.279703  1
  Ta  Ta47  1  0.256009  0.739252  0.297730  1
  Ta  Ta48  1  0.257759  0.140232  0.377981  1
  Ta  Ta49  1  0.263270  0.064678  0.289305  1
  Ta  Ta50  1  0.257971  0.466163  0.370535  1
  Ta  Ta51  1  0.257175  0.693659  0.390505  1
  Ta  Ta52  1  0.257407  0.294181  0.305088  1
  Ta  Ta53  1  0.758982  0.739245  0.297739  1
  Ta  Ta54  1  0.756767  0.140232  0.377982  1
  Ta  Ta55  1  0.757790  0.693660  0.390505  1
  Ta  Ta56  1  0.757240  0.294181  0.305088  1
  Ta  Ta57  1  0.757409  0.912938  0.359714  1
  Ta  Ta58  1  0.758397  0.517718  0.279704  1
  Ta  Ta59  1  0.751336  0.064677  0.289305  1
  Ta  Ta60  1  0.756772  0.466164  0.370535  1
  Ta  Ta61  1  0.007625  0.903627  0.500172  1
  Ta  Ta62  1  0.007414  0.502709  0.416510  1
  Ta  Ta63  1  0.508041  0.603270  0.542262  1
  Ta  Ta64  1  0.507063  0.203673  0.457892  1
  Ta  Ta65  1  0.007841  0.785175  0.489604  1
  Ta  Ta66  1  0.005491  0.185600  0.572840  1
  Ta  Ta67  1  0.507816  0.629447  0.493035  1
  Ta  Ta68  1  0.506607  0.029964  0.576503  1
  Ta  Ta69  1  0.507528  0.777327  0.424115  1
  Ta  Ta70  1  0.506741  0.177408  0.507194  1
  Ta  Ta71  1  0.007508  0.621054  0.427570  1
  Ta  Ta72  1  0.007249  0.022012  0.510730  1
  Ta  Ta73  1  0.507585  0.511760  0.509225  1
  Ta  Ta74  1  0.507188  0.112296  0.424925  1
  Ta  Ta75  1  0.508968  0.694812  0.575194  1
  Ta  Ta76  1  0.506860  0.295049  0.490954  1
  Ta  Ta77  1  0.006715  0.382705  0.545555  1
  Ta  Ta78  1  0.007361  0.982470  0.461825  1
  Ta  Ta79  1  0.008140  0.824762  0.538472  1
  Ta  Ta80  1  0.007301  0.423951  0.454592  1
  Ta  Ta81  1  0.007766  0.663181  0.477236  1
  Ta  Ta82  1  0.006440  0.063717  0.560449  1
  Ta  Ta83  1  0.507572  0.658204  0.442021  1
  Ta  Ta84  1  0.506989  0.058729  0.525229  1
  Ta  Ta85  1  0.507784  0.748298  0.475164  1
  Ta  Ta86  1  0.505897  0.148684  0.558363  1
  Ta  Ta87  1  0.007586  0.743289  0.439994  1
  Ta  Ta88  1  0.006621  0.143768  0.523106  1
  Ta  Ta89  1  0.508520  0.815459  0.559351  1
  Ta  Ta90  1  0.507241  0.415295  0.475509  1
  Ta  Ta91  1  0.506937  0.391457  0.524643  1
  Ta  Ta92  1  0.507339  0.991887  0.440923  1
  Ta  Ta93  1  0.007366  0.462203  0.505117  1
  Ta  Ta94  1  0.007245  0.062678  0.421210  1
  Ta  Ta95  1  0.009259  0.744514  0.578958  1
  Ta  Ta96  1  0.006927  0.344552  0.495043  1
  Ta  Ta97  1  0.507834  0.841181  0.509035  1
  Ta  Ta98  1  0.507342  0.440297  0.425027  1
  Ta  Ta99  1  0.007830  0.582716  0.516163  1
  Ta  Ta100  1  0.007142  0.183242  0.431740  1
  Ta  Ta101  1  0.008533  0.623811  0.568369  1
  Ta  Ta102  1  0.006904  0.224105  0.484041  1
  Ta  Ta103  1  0.506281  0.366398  0.575106  1
  Ta  Ta104  1  0.507436  0.966059  0.491303  1
  Ta  Ta105  1  0.257760  0.712808  0.526946  1
  Ta  Ta106  1  0.256735  0.312752  0.442611  1
  Ta  Ta107  1  0.257997  0.539512  0.462389  1
  Ta  Ta108  1  0.258157  0.940210  0.545896  1
  Ta  Ta109  1  0.258042  0.867070  0.454514  1
  Ta  Ta110  1  0.256861  0.267225  0.537849  1
  Ta  Ta111  1  0.257070  0.494057  0.557492  1
  Ta  Ta112  1  0.256661  0.094290  0.473305  1
  Ta  Ta113  1  0.757024  0.539512  0.462387  1
  Ta  Ta114  1  0.757139  0.940215  0.545900  1
  Ta  Ta115  1  0.757903  0.494064  0.557487  1
  Ta  Ta116  1  0.757544  0.094286  0.473307  1
  Ta  Ta117  1  0.758638  0.712799  0.526945  1
  Ta  Ta118  1  0.757565  0.312754  0.442611  1
  Ta  Ta119  1  0.757065  0.867066  0.454515  1
  Ta  Ta120  1  0.755884  0.267234  0.537847  1
  Ta  Ta121  1  0.013635  0.703197  0.667571  1
  Ta  Ta122  1  0.005751  0.303958  0.583704  1
  Ta  Ta123  1  0.504779  0.401147  0.711662  1
  Ta  Ta124  1  0.506571  1.003481  0.626140  1
  Ta  Ta125  1  0.010024  0.585244  0.658071  1
  Ta  Ta126  1  0.796040  0.963032  0.729075  1
  Ta  Ta127  1  0.506083  0.430186  0.661610  1
  Ta  Ta128  1  0.533347  0.840774  0.741704  1
  Ta  Ta129  1  0.508691  0.577063  0.591548  1
  Ta  Ta130  1  0.512238  0.979071  0.677182  1
  Ta  Ta131  1  0.006492  0.422259  0.594672  1
  Ta  Ta132  1  0.014987  0.820960  0.677998  1
  Ta  Ta133  1  0.503359  0.312565  0.675987  1
  Ta  Ta134  1  0.508464  0.912370  0.592705  1
  Ta  Ta135  1  0.507774  0.495541  0.741572  1
  Ta  Ta136  1  0.499613  0.095334  0.658712  1
  Ta  Ta137  1  0.995944  0.179029  0.714714  1
  Ta  Ta138  1  0.011802  0.781936  0.629139  1
  Ta  Ta139  1  0.012440  0.628307  0.706829  1
  Ta  Ta140  1  0.004329  0.224861  0.621760  1
  Ta  Ta141  1  0.006998  0.463797  0.644853  1
  Ta  Ta142  1  0.029513  0.851085  0.725911  1
  Ta  Ta143  1  0.506951  0.458791  0.609585  1
  Ta  Ta144  1  0.522618  0.864188  0.694113  1
  Ta  Ta145  1  0.508875  0.548588  0.643040  1
  Ta  Ta146  1  0.311175  0.958809  0.726256  1
  Ta  Ta147  1  0.008423  0.543697  0.607572  1
  Ta  Ta148  1  0.012715  0.940729  0.686718  1
  Ta  Ta149  1  0.511560  0.613790  0.725920  1
  Ta  Ta150  1  0.503071  0.215707  0.642369  1
  Ta  Ta151  1  0.497688  0.191623  0.690674  1
  Ta  Ta152  1  0.510519  0.791535  0.608375  1
  Ta  Ta153  1  1.001989  0.261539  0.672096  1
  Ta  Ta154  1  0.009083  0.862408  0.588699  1
  Ta  Ta155  1  0.009234  0.542513  0.740645  1
  Ta  Ta156  1  0.999230  0.144724  0.662653  1
  Ta  Ta157  1  0.512156  0.642039  0.676832  1
  Ta  Ta158  1  0.505266  0.241528  0.592299  1
  Ta  Ta159  1  0.004657  0.381585  0.682943  1
  Ta  Ta160  1  0.007294  0.983244  0.599430  1
  Ta  Ta161  1  0.005712  0.420918  0.730505  1
  Ta  Ta162  1  0.004326  0.025632  0.651154  1
  Ta  Ta163  1  0.494460  0.169700  0.737110  1
  Ta  Ta164  1  0.513437  0.766953  0.658811  1
  Ta  Ta165  1  0.258412  0.512936  0.694904  1
  Ta  Ta166  1  0.254172  0.113145  0.610161  1
  Ta  Ta167  1  0.255680  0.340607  0.629546  1
  Ta  Ta168  1  0.273574  0.741240  0.710559  1
  Ta  Ta169  1  0.260815  0.666726  0.622027  1
  Ta  Ta170  1  0.235969  0.066923  0.704231  1
  Ta  Ta171  1  0.249374  0.291219  0.720071  1
  Ta  Ta172  1  0.261053  0.894183  0.640525  1
  Ta  Ta173  1  0.754483  0.340608  0.629548  1
  Ta  Ta174  1  0.761678  0.741193  0.710648  1
  Ta  Ta175  1  0.752832  0.291196  0.720235  1
  Ta  Ta176  1  0.761136  0.894301  0.640537  1
  Ta  Ta177  1  0.758225  0.512940  0.694892  1
  Ta  Ta178  1  0.754857  0.113218  0.610155  1
  Ta  Ta179  1  0.759842  0.666752  0.622040  1
  Ta  Ta180  1  0.738768  0.068316  0.704272  1
