# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76829148
_cell_length_b   24.98582714
_cell_length_c   49.01348819
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93754557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   13187.300033
_cell_formula_units_Z   330
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  0.000991  0.259524  0.317631  1
  Ta  Ta2  1  0.999074  0.621000  0.349475  1
  Ta  Ta3  1  0.979855  0.900363  0.290111  1
  Ta  Ta4  1  0.496875  0.440676  0.334959  1
  Ta  Ta5  1  0.506578  0.724874  0.276371  1
  Ta  Ta6  1  0.503725  0.078097  0.302398  1
  Ta  Ta7  1  0.811738  0.336378  0.303669  1
  Ta  Ta8  1  0.818634  0.693456  0.333628  1
  Ta  Ta9  1  0.818014  0.047166  0.362892  1
  Ta  Ta10  1  0.142889  0.471502  0.278697  1
  Ta  Ta11  1  0.173766  0.832477  0.306941  1
  Ta  Ta12  1  0.185830  0.192642  0.333613  1
  Ta  Ta13  1  0.204466  0.461255  0.330799  1
  Ta  Ta14  1  0.215712  0.821309  0.362143  1
  Ta  Ta15  1  0.220593  0.106022  0.295771  1
  Ta  Ta16  1  0.744025  0.414257  0.340348  1
  Ta  Ta17  1  0.759930  0.698084  0.280448  1
  Ta  Ta18  1  0.780433  0.059273  0.305682  1
  Ta  Ta19  1  0.289432  0.283130  0.311372  1
  Ta  Ta20  1  0.280396  0.640642  0.343938  1
  Ta  Ta21  1  0.234498  0.933886  0.284770  1
  Ta  Ta22  1  0.740399  0.593738  0.351690  1
  Ta  Ta23  1  0.714042  0.888644  0.291548  1
  Ta  Ta24  1  0.743622  0.235994  0.322241  1
  Ta  Ta25  1  0.683852  0.512255  0.315892  1
  Ta  Ta26  1  0.678606  0.871837  0.346341  1
  Ta  Ta27  1  0.684045  0.156314  0.289458  1
  Ta  Ta28  1  0.319387  0.370526  0.348865  1
  Ta  Ta29  1  0.320638  0.653758  0.291295  1
  Ta  Ta30  1  0.314921  0.013498  0.321202  1
  Ta  Ta31  1  0.891129  0.436085  0.289187  1
  Ta  Ta32  1  0.904001  0.790658  0.311420  1
  Ta  Ta33  1  0.892537  0.148372  0.344595  1
  Ta  Ta34  1  0.110114  0.363242  0.300856  1
  Ta  Ta35  1  0.117039  0.727377  0.335250  1
  Ta  Ta36  1  0.112552  0.088389  0.354474  1
  Ta  Ta37  1  0.992742  0.393642  0.346418  1
  Ta  Ta38  1  0.031338  0.676030  0.292646  1
  Ta  Ta39  1  0.033771  0.026119  0.312193  1
  Ta  Ta40  1  0.959049  0.507188  0.327761  1
  Ta  Ta41  1  0.958182  0.858175  0.352524  1
  Ta  Ta42  1  0.968967  0.144666  0.294188  1
  Ta  Ta43  1  0.489673  0.573259  0.357777  1
  Ta  Ta44  1  0.462410  0.851843  0.298400  1
  Ta  Ta45  1  0.498822  0.210046  0.333817  1
  Ta  Ta46  1  0.531464  0.319755  0.308534  1
  Ta  Ta47  1  0.541151  0.687806  0.336101  1
  Ta  Ta48  1  0.484226  0.961254  0.282574  1
  Ta  Ta49  1  0.604437  0.324197  0.359996  1
  Ta  Ta50  1  0.589954  0.613944  0.298972  1
  Ta  Ta51  1  0.603704  0.976910  0.329084  1
  Ta  Ta52  1  0.377911  0.533991  0.311461  1
  Ta  Ta53  1  0.381267  0.909612  0.340801  1
  Ta  Ta54  1  0.404199  0.185672  0.286465  1
  Ta  Ta55  1  0.628947  0.415711  0.285694  1
  Ta  Ta56  1  0.645760  0.780378  0.312893  1
  Ta  Ta57  1  0.641333  0.121807  0.345640  1
  Ta  Ta58  1  0.355578  0.405062  0.290993  1
  Ta  Ta59  1  0.355106  0.754551  0.320364  1
  Ta  Ta60  1  0.362283  0.114694  0.347754  1
  Ta  Ta61  1  0.858471  0.306747  0.361465  1
  Ta  Ta62  1  0.856777  0.595794  0.297897  1
  Ta  Ta63  1  0.856350  0.953902  0.329140  1
  Ta  Ta64  1  0.136491  0.573613  0.304506  1
  Ta  Ta65  1  0.131573  0.930482  0.336974  1
  Ta  Ta66  1  0.155784  0.212595  0.275686  1
  Ta  Ta67  1  0.999522  0.335313  0.409205  1
  Ta  Ta68  1  1.000232  0.694085  0.441099  1
  Ta  Ta69  1  1.000031  0.977406  0.379597  1
  Ta  Ta70  1  0.495502  0.515788  0.424678  1
  Ta  Ta71  1  0.491053  0.803703  0.362716  1
  Ta  Ta72  1  0.500758  0.155500  0.394101  1
  Ta  Ta73  1  0.809638  0.405460  0.394914  1
  Ta  Ta74  1  0.814762  0.764183  0.425808  1
  Ta  Ta75  1  0.815909  0.121336  0.455219  1
  Ta  Ta76  1  0.172015  0.549190  0.365452  1
  Ta  Ta77  1  0.176276  0.903863  0.396685  1
  Ta  Ta78  1  0.183804  0.265797  0.423671  1
  Ta  Ta79  1  0.204743  0.534855  0.420880  1
  Ta  Ta80  1  0.221404  0.890627  0.452775  1
  Ta  Ta81  1  0.226833  0.178381  0.389085  1
  Ta  Ta82  1  0.747564  0.486389  0.431670  1
  Ta  Ta83  1  0.742552  0.771951  0.369314  1
  Ta  Ta84  1  0.771066  0.130351  0.399665  1
  Ta  Ta85  1  0.284142  0.358349  0.404651  1
  Ta  Ta86  1  0.293046  0.712220  0.436427  1
  Ta  Ta87  1  0.269027  0.998447  0.375618  1
  Ta  Ta88  1  0.740109  0.666298  0.444863  1
  Ta  Ta89  1  0.739239  0.951123  0.383123  1
  Ta  Ta90  1  0.730932  0.309909  0.414657  1
  Ta  Ta91  1  0.684790  0.584394  0.409232  1
  Ta  Ta92  1  0.693135  0.941938  0.440189  1
  Ta  Ta93  1  0.690916  0.224009  0.378848  1
  Ta  Ta94  1  0.318387  0.444974  0.439439  1
  Ta  Ta95  1  0.328667  0.726742  0.380934  1
  Ta  Ta96  1  0.316650  0.084361  0.409110  1
  Ta  Ta97  1  0.892237  0.506340  0.378928  1
  Ta  Ta98  1  0.898638  0.861759  0.405660  1
  Ta  Ta99  1  0.892172  0.221779  0.433201  1
  Ta  Ta100  1  0.117098  0.436642  0.388416  1
  Ta  Ta101  1  0.125209  0.793986  0.421938  1
  Ta  Ta102  1  0.113011  0.161603  0.445844  1
  Ta  Ta103  1  0.998558  0.465519  0.435991  1
  Ta  Ta104  1  0.994682  0.754494  0.379374  1
  Ta  Ta105  1  0.015515  0.102618  0.405068  1
  Ta  Ta106  1  0.968953  0.580607  0.415729  1
  Ta  Ta107  1  0.981092  0.926884  0.444793  1
  Ta  Ta108  1  0.991133  0.213584  0.382593  1
  Ta  Ta109  1  0.493752  0.643958  0.450161  1
  Ta  Ta110  1  0.488868  0.926713  0.389870  1
  Ta  Ta111  1  0.489493  0.282648  0.420431  1
  Ta  Ta112  1  0.526146  0.396943  0.396727  1
  Ta  Ta113  1  0.541301  0.757426  0.426906  1
  Ta  Ta114  1  0.508026  0.034294  0.369508  1
  Ta  Ta115  1  0.602787  0.396914  0.448888  1
  Ta  Ta116  1  0.593145  0.681221  0.389522  1
  Ta  Ta117  1  0.607762  0.041237  0.419470  1
  Ta  Ta118  1  0.371578  0.611553  0.403626  1
  Ta  Ta119  1  0.384001  0.977482  0.431874  1
  Ta  Ta120  1  0.380595  0.267537  0.371137  1
  Ta  Ta121  1  0.638198  0.491731  0.376005  1
  Ta  Ta122  1  0.644263  0.848614  0.406288  1
  Ta  Ta123  1  0.639840  0.201094  0.437681  1
  Ta  Ta124  1  0.359370  0.478429  0.379592  1
  Ta  Ta125  1  0.364809  0.831428  0.412335  1
  Ta  Ta126  1  0.362029  0.185235  0.440868  1
  Ta  Ta127  1  0.858303  0.380890  0.453225  1
  Ta  Ta128  1  0.852017  0.668230  0.391452  1
  Ta  Ta129  1  0.860956  0.023267  0.422702  1
  Ta  Ta130  1  0.135021  0.658153  0.395177  1
  Ta  Ta131  1  0.137577  0.005495  0.427461  1
  Ta  Ta132  1  0.135424  0.299149  0.362763  1
  Ta  Ta133  1  0.999512  0.408850  0.500209  1
  Ta  Ta134  1  0.002674  0.766778  0.531764  1
  Ta  Ta135  1  1.000597  0.050409  0.470796  1
  Ta  Ta136  1  0.502337  0.586165  0.516354  1
  Ta  Ta137  1  0.498273  0.875179  0.455379  1
  Ta  Ta138  1  0.500473  0.229417  0.484989  1
  Ta  Ta139  1  0.812233  0.479728  0.486458  1
  Ta  Ta140  1  0.820453  0.837626  0.516487  1
  Ta  Ta141  1  0.817307  0.195284  0.546514  1
  Ta  Ta142  1  0.176350  0.622246  0.455682  1
  Ta  Ta143  1  0.183432  0.977593  0.486585  1
  Ta  Ta144  1  0.184433  0.338108  0.513954  1
  Ta  Ta145  1  0.217330  0.606952  0.511462  1
  Ta  Ta146  1  0.225943  0.968547  0.542373  1
  Ta  Ta147  1  0.225693  0.252235  0.479489  1
  Ta  Ta148  1  0.771832  0.564475  0.522625  1
  Ta  Ta149  1  0.748273  0.842852  0.462202  1
  Ta  Ta150  1  0.775530  0.206197  0.490249  1
  Ta  Ta151  1  0.281591  0.431174  0.495243  1
  Ta  Ta152  1  0.289417  0.788143  0.526777  1
  Ta  Ta153  1  0.273717  0.071801  0.465285  1
  Ta  Ta154  1  0.731037  0.743916  0.537376  1
  Ta  Ta155  1  0.728707  0.027986  0.475770  1
  Ta  Ta156  1  0.726401  0.385247  0.505363  1
  Ta  Ta157  1  0.687243  0.658080  0.501731  1
  Ta  Ta158  1  0.686057  0.017654  0.531899  1
  Ta  Ta159  1  0.687003  0.299391  0.470192  1
  Ta  Ta160  1  0.319429  0.516001  0.530476  1
  Ta  Ta161  1  0.332213  0.797646  0.471702  1
  Ta  Ta162  1  0.315480  0.158310  0.499868  1
  Ta  Ta163  1  0.894473  0.578292  0.467205  1
  Ta  Ta164  1  0.894425  0.937320  0.495724  1
  Ta  Ta165  1  0.890148  0.296774  0.523538  1
  Ta  Ta166  1  0.114947  0.512389  0.478751  1
  Ta  Ta167  1  0.118083  0.869406  0.509958  1
  Ta  Ta168  1  0.111672  0.236417  0.536295  1
  Ta  Ta169  1  0.011839  0.534450  0.527912  1
  Ta  Ta170  1  0.001081  0.821271  0.467708  1
  Ta  Ta171  1  0.016623  0.175264  0.496281  1
  Ta  Ta172  1  0.984864  0.645563  0.505368  1
  Ta  Ta173  1  0.984116  1.000314  0.535594  1
  Ta  Ta174  1  0.987650  0.285427  0.472795  1
  Ta  Ta175  1  0.491042  0.715617  0.542705  1
  Ta  Ta176  1  0.485089  0.997825  0.481390  1
  Ta  Ta177  1  0.486664  0.355075  0.511204  1
  Ta  Ta178  1  0.522191  0.465865  0.486841  1
  Ta  Ta179  1  0.539484  0.828493  0.519866  1
  Ta  Ta180  1  0.515206  0.105338  0.458761  1
  Ta  Ta181  1  0.608107  0.475004  0.539229  1
  Ta  Ta182  1  0.595848  0.754313  0.481077  1
  Ta  Ta183  1  0.609982  0.118896  0.509527  1
  Ta  Ta184  1  0.378119  0.684702  0.495364  1
  Ta  Ta185  1  0.389045  0.056964  0.522266  1
  Ta  Ta186  1  0.384801  0.339620  0.461419  1
  Ta  Ta187  1  0.640107  0.562235  0.468690  1
  Ta  Ta188  1  0.642405  0.921284  0.498860  1
  Ta  Ta189  1  0.639185  0.274571  0.528664  1
  Ta  Ta190  1  0.361462  0.549918  0.470536  1
  Ta  Ta191  1  0.363453  0.900122  0.503492  1
  Ta  Ta192  1  0.361814  0.257870  0.531873  1
  Ta  Ta193  1  0.859942  0.453979  0.544737  1
  Ta  Ta194  1  0.856176  0.738384  0.484531  1
  Ta  Ta195  1  0.861232  0.096749  0.514376  1
  Ta  Ta196  1  0.139310  0.728957  0.486304  1
  Ta  Ta197  1  0.139474  0.078602  0.517984  1
  Ta  Ta198  1  0.135700  0.371604  0.454561  1
  Ta  Ta199  1  0.001061  0.481241  0.591683  1
  Ta  Ta200  1  0.003954  0.842081  0.622650  1
  Ta  Ta201  1  0.000953  0.124202  0.561710  1
  Ta  Ta202  1  0.499958  0.661425  0.607201  1
  Ta  Ta203  1  0.498239  0.947742  0.547037  1
  Ta  Ta204  1  0.499196  0.303618  0.575710  1
  Ta  Ta205  1  0.818137  0.553355  0.578498  1
  Ta  Ta206  1  0.819190  0.913222  0.606948  1
  Ta  Ta207  1  0.816551  0.267407  0.637033  1
  Ta  Ta208  1  0.184051  0.696203  0.545996  1
  Ta  Ta209  1  0.189942  0.055455  0.577637  1
  Ta  Ta210  1  0.186873  0.410409  0.605656  1
  Ta  Ta211  1  0.227471  0.684759  0.601651  1
  Ta  Ta212  1  0.249593  0.048413  0.635918  1
  Ta  Ta213  1  0.228418  0.326438  0.569709  1
  Ta  Ta214  1  0.773957  0.638935  0.613271  1
  Ta  Ta215  1  0.763380  0.919964  0.551286  1
  Ta  Ta216  1  0.773108  0.280275  0.580545  1
  Ta  Ta217  1  0.274858  0.504645  0.586414  1
  Ta  Ta218  1  0.273897  0.865453  0.618216  1
  Ta  Ta219  1  0.271947  0.148559  0.555639  1
  Ta  Ta220  1  0.732549  0.818622  0.627461  1
  Ta  Ta221  1  0.722776  0.103938  0.566934  1
  Ta  Ta222  1  0.726658  0.458690  0.596493  1
  Ta  Ta223  1  0.685987  0.732277  0.593875  1
  Ta  Ta224  1  0.676238  0.091406  0.622952  1
  Ta  Ta225  1  0.684273  0.374192  0.561043  1
  Ta  Ta226  1  0.314042  0.590518  0.621550  1
  Ta  Ta227  1  0.319422  0.875325  0.562435  1
  Ta  Ta228  1  0.315235  0.233744  0.591494  1
  Ta  Ta229  1  0.891644  0.654899  0.556447  1
  Ta  Ta230  1  0.885097  0.018241  0.585357  1
  Ta  Ta231  1  0.886193  0.369005  0.613757  1
  Ta  Ta232  1  0.112728  0.593720  0.568570  1
  Ta  Ta233  1  0.110684  0.954619  0.598818  1
  Ta  Ta234  1  0.110328  0.306004  0.624063  1
  Ta  Ta235  1  0.011574  0.604727  0.618596  1
  Ta  Ta236  1  0.011914  0.894199  0.558360  1
  Ta  Ta237  1  0.007429  0.245096  0.585979  1
  Ta  Ta238  1  0.987165  0.716590  0.596701  1
  Ta  Ta239  1  0.007755  0.070684  0.624185  1
  Ta  Ta240  1  0.987495  0.356871  0.563890  1
  Ta  Ta241  1  0.492414  0.785023  0.633590  1
  Ta  Ta242  1  0.483789  0.069569  0.572521  1
  Ta  Ta243  1  0.486327  0.426785  0.602890  1
  Ta  Ta244  1  0.514853  0.536683  0.579861  1
  Ta  Ta245  1  0.515497  0.895097  0.612044  1
  Ta  Ta246  1  0.515008  0.179130  0.550618  1
  Ta  Ta247  1  0.615717  0.547504  0.630034  1
  Ta  Ta248  1  0.608729  0.832520  0.572193  1
  Ta  Ta249  1  0.612617  0.198416  0.601801  1
  Ta  Ta250  1  0.388364  0.772659  0.584238  1
  Ta  Ta251  1  0.390793  0.134559  0.610715  1
  Ta  Ta252  1  0.389752  0.414238  0.552361  1
  Ta  Ta253  1  0.640615  0.633966  0.560568  1
  Ta  Ta254  1  0.637523  0.991266  0.590982  1
  Ta  Ta255  1  0.636540  0.342909  0.619997  1
  Ta  Ta256  1  0.363301  0.618878  0.561522  1
  Ta  Ta257  1  0.360604  0.974854  0.595852  1
  Ta  Ta258  1  0.361587  0.328922  0.624011  1
  Ta  Ta259  1  0.863846  0.523051  0.638679  1
  Ta  Ta260  1  0.862559  0.812567  0.575494  1
  Ta  Ta261  1  0.861328  0.162270  0.607775  1
  Ta  Ta262  1  0.139961  0.798179  0.577365  1
  Ta  Ta263  1  0.140569  0.158681  0.609867  1
  Ta  Ta264  1  0.138678  0.439115  0.545961  1
  Ta  Ta265  1  1.000278  0.556632  0.684237  1
  Ta  Ta266  1  0.019691  0.918888  0.711590  1
  Ta  Ta267  1  0.996987  0.198816  0.654101  1
  Ta  Ta268  1  0.492156  0.740868  0.698425  1
  Ta  Ta269  1  0.504255  0.018066  0.640487  1
  Ta  Ta270  1  0.499505  0.378649  0.665998  1
  Ta  Ta271  1  0.814922  0.625425  0.668655  1
  Ta  Ta272  1  0.822466  0.986455  0.696746  1
  Ta  Ta273  1  0.850938  0.344415  0.724208  1
  Ta  Ta274  1  0.185455  0.771045  0.637769  1
  Ta  Ta275  1  0.181774  0.129471  0.669946  1
  Ta  Ta276  1  0.187885  0.477310  0.696345  1
  Ta  Ta277  1  0.223242  0.759775  0.694200  1
  Ta  Ta278  1  0.214192  0.123508  0.724371  1
  Ta  Ta279  1  0.234524  0.394794  0.661608  1
  Ta  Ta280  1  0.783396  0.712484  0.706084  1
  Ta  Ta281  1  0.777048  0.997517  0.642030  1
  Ta  Ta282  1  0.780193  0.353808  0.671500  1
  Ta  Ta283  1  0.257255  0.579401  0.678575  1
  Ta  Ta284  1  0.282558  0.934798  0.710187  1
  Ta  Ta285  1  0.261624  0.225417  0.649701  1
  Ta  Ta286  1  0.765314  0.884322  0.717721  1
  Ta  Ta287  1  0.719899  0.178067  0.660376  1
  Ta  Ta288  1  0.720126  0.532435  0.691234  1
  Ta  Ta289  1  0.686209  0.804370  0.681680  1
  Ta  Ta290  1  0.666977  0.165021  0.711787  1
  Ta  Ta291  1  0.685108  0.446849  0.652477  1
  Ta  Ta292  1  0.316889  0.660232  0.710733  1
  Ta  Ta293  1  0.316451  0.950801  0.656042  1
  Ta  Ta294  1  0.320792  0.303808  0.686141  1
  Ta  Ta295  1  0.889830  0.729170  0.647479  1
  Ta  Ta296  1  0.879968  0.090686  0.668506  1
  Ta  Ta297  1  0.897867  0.447454  0.701133  1
  Ta  Ta298  1  0.109448  0.668836  0.656970  1
  Ta  Ta299  1  0.100281  0.030295  0.691597  1
  Ta  Ta300  1  0.115423  0.372445  0.714484  1
  Ta  Ta301  1  0.034389  0.673316  0.707329  1
  Ta  Ta302  1  0.025484  0.967480  0.649928  1
  Ta  Ta303  1  0.023387  0.314964  0.674184  1
  Ta  Ta304  1  0.970757  0.792789  0.688884  1
  Ta  Ta305  1  0.961679  0.145410  0.710471  1
  Ta  Ta306  1  0.995187  0.425228  0.653297  1
  Ta  Ta307  1  0.513668  0.857149  0.720159  1
  Ta  Ta308  1  0.472050  0.134543  0.660686  1
  Ta  Ta309  1  0.476938  0.500993  0.693817  1
  Ta  Ta310  1  0.503284  0.606131  0.667385  1
  Ta  Ta311  1  0.532280  0.965213  0.702627  1
  Ta  Ta312  1  0.510483  0.250193  0.644947  1
  Ta  Ta313  1  0.599474  0.632890  0.714191  1
  Ta  Ta314  1  0.619521  0.907966  0.661528  1
  Ta  Ta315  1  0.608166  0.282283  0.695222  1
  Ta  Ta316  1  0.397457  0.847069  0.673275  1
  Ta  Ta317  1  0.394227  0.195872  0.701527  1
  Ta  Ta318  1  0.389994  0.488230  0.643140  1
  Ta  Ta319  1  0.637898  0.702986  0.654373  1
  Ta  Ta320  1  0.639244  0.065446  0.684372  1
  Ta  Ta321  1  0.642765  0.413333  0.710999  1
  Ta  Ta322  1  0.358866  0.691825  0.654740  1
  Ta  Ta323  1  0.361682  0.050761  0.692017  1
  Ta  Ta324  1  0.372910  0.402995  0.715054  1
  Ta  Ta325  1  0.847661  0.605987  0.726306  1
  Ta  Ta326  1  0.869236  0.887977  0.665745  1
  Ta  Ta327  1  0.852102  0.245596  0.698476  1
  Ta  Ta328  1  0.144497  0.867692  0.671367  1
  Ta  Ta329  1  0.135801  0.229893  0.704706  1
  Ta  Ta330  1  0.140311  0.509742  0.639133  1
