# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.63057496
_cell_length_b   11.39295881
_cell_length_c   50.41663019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.65757727
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11934.9639264
_cell_formula_units_Z   300
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  0.342482  0.285172  0.276256  1
  Ta  Ta2  1  0.821008  0.904556  0.318404  1
  Ta  Ta3  1  0.579353  0.601875  0.294193  1
  Ta  Ta4  1  0.059652  0.217320  0.342451  1
  Ta  Ta5  1  0.338908  0.699809  0.343990  1
  Ta  Ta6  1  0.864625  0.080885  0.296605  1
  Ta  Ta7  1  0.457632  0.736686  0.277745  1
  Ta  Ta8  1  0.937906  0.364207  0.326007  1
  Ta  Ta9  1  0.706368  0.438730  0.311728  1
  Ta  Ta10  1  0.179900  0.067595  0.359575  1
  Ta  Ta11  1  0.775623  0.735041  0.339914  1
  Ta  Ta12  1  0.303019  0.105158  0.292958  1
  Ta  Ta13  1  0.515452  0.062248  0.360782  1
  Ta  Ta14  1  0.043502  0.430678  0.311613  1
  Ta  Ta15  1  0.600046  0.378394  0.322734  1
  Ta  Ta16  1  0.123989  0.749684  0.278770  1
  Ta  Ta17  1  0.691635  0.947931  0.309017  1
  Ta  Ta18  1  0.168575  0.576921  0.358410  1
  Ta  Ta19  1  0.470202  0.225417  0.278580  1
  Ta  Ta20  1  0.947316  0.859565  0.325181  1
  Ta  Ta21  1  0.385041  0.882977  0.322672  1
  Ta  Ta22  1  0.904827  0.262403  0.281235  1
  Ta  Ta23  1  0.813488  0.515965  0.307165  1
  Ta  Ta24  1  0.286096  0.135485  0.349981  1
  Ta  Ta25  1  0.355714  0.680601  0.290657  1
  Ta  Ta26  1  0.831117  0.290625  0.334005  1
  Ta  Ta27  1  0.731915  0.548301  0.360412  1
  Ta  Ta28  1  0.255978  0.921043  0.317306  1
  Ta  Ta29  1  0.497089  0.291423  0.332153  1
  Ta  Ta30  1  0.016779  0.677604  0.289799  1
  Ta  Ta31  1  0.619746  0.138951  0.349596  1
  Ta  Ta32  1  0.142382  0.519438  0.307445  1
  Ta  Ta33  1  0.557135  0.008079  0.308148  1
  Ta  Ta34  1  0.033801  0.627716  0.351126  1
  Ta  Ta35  1  0.601220  0.192732  0.289804  1
  Ta  Ta36  1  0.081665  0.797985  0.331421  1
  Ta  Ta37  1  0.375142  0.441882  0.315447  1
  Ta  Ta38  1  0.849015  0.066501  0.359658  1
  Ta  Ta39  1  0.514527  0.829241  0.328458  1
  Ta  Ta40  1  0.036544  0.204402  0.287517  1
  Ta  Ta41  1  0.602394  0.601358  0.354479  1
  Ta  Ta42  1  0.124565  0.973469  0.312410  1
  Ta  Ta43  1  0.798576  0.731002  0.283452  1
  Ta  Ta44  1  0.267823  0.358892  0.325070  1
  Ta  Ta45  1  0.491326  0.452884  0.282354  1
  Ta  Ta46  1  0.974324  0.082187  0.326798  1
  Ta  Ta47  1  0.410681  0.131957  0.320532  1
  Ta  Ta48  1  0.936016  0.486059  0.276206  1
  Ta  Ta49  1  0.730525  0.160069  0.315707  1
  Ta  Ta50  1  0.204485  0.794003  0.360382  1
  Ta  Ta51  1  0.641834  0.844901  0.353682  1
  Ta  Ta52  1  0.171205  0.205908  0.308849  1
  Ta  Ta53  1  0.442879  0.993271  0.277513  1
  Ta  Ta54  1  0.913922  0.627126  0.320552  1
  Ta  Ta55  1  0.669504  0.709685  0.308545  1
  Ta  Ta56  1  0.143457  0.344285  0.354117  1
  Ta  Ta57  1  0.474582  0.586713  0.326190  1
  Ta  Ta58  1  0.008640  0.956757  0.281802  1
  Ta  Ta59  1  0.706414  0.295999  0.360292  1
  Ta  Ta60  1  0.232533  0.661710  0.313475  1
  Ta  Ta61  1  0.295381  0.527843  0.364098  1
  Ta  Ta62  1  0.770057  0.154751  0.409490  1
  Ta  Ta63  1  0.533873  0.840829  0.387067  1
  Ta  Ta64  1  0.008016  0.467919  0.432820  1
  Ta  Ta65  1  0.289333  0.951794  0.434660  1
  Ta  Ta66  1  0.814149  0.326991  0.389421  1
  Ta  Ta67  1  0.412466  0.988141  0.369793  1
  Ta  Ta68  1  0.886889  0.615426  0.415249  1
  Ta  Ta69  1  0.655069  0.693807  0.403834  1
  Ta  Ta70  1  0.129158  0.321002  0.450317  1
  Ta  Ta71  1  0.726170  0.983893  0.430678  1
  Ta  Ta72  1  0.251685  0.355010  0.385262  1
  Ta  Ta73  1  0.465350  0.313753  0.451181  1
  Ta  Ta74  1  0.990653  0.686462  0.405446  1
  Ta  Ta75  1  0.551116  0.621664  0.413929  1
  Ta  Ta76  1  0.075595  0.995383  0.369009  1
  Ta  Ta77  1  0.643104  0.203004  0.402766  1
  Ta  Ta78  1  0.117755  0.829540  0.449126  1
  Ta  Ta79  1  0.423580  0.479530  0.370411  1
  Ta  Ta80  1  0.897554  0.105591  0.416283  1
  Ta  Ta81  1  0.334904  0.131986  0.412709  1
  Ta  Ta82  1  0.859113  0.509644  0.368011  1
  Ta  Ta83  1  0.760293  0.766773  0.396101  1
  Ta  Ta84  1  0.235122  0.392278  0.441734  1
  Ta  Ta85  1  0.306283  0.915988  0.378451  1
  Ta  Ta86  1  0.780392  0.544032  0.423491  1
  Ta  Ta87  1  0.681061  0.802622  0.452296  1
  Ta  Ta88  1  0.206640  0.175674  0.407005  1
  Ta  Ta89  1  0.447379  0.544004  0.423400  1
  Ta  Ta90  1  0.972109  0.917057  0.378119  1
  Ta  Ta91  1  0.569049  0.391117  0.441462  1
  Ta  Ta92  1  0.093692  0.764187  0.396173  1
  Ta  Ta93  1  0.509799  0.257108  0.397257  1
  Ta  Ta94  1  0.984072  0.882171  0.442942  1
  Ta  Ta95  1  0.557054  0.427338  0.376423  1
  Ta  Ta96  1  0.031315  0.052621  0.422549  1
  Ta  Ta97  1  0.324019  0.691883  0.405151  1
  Ta  Ta98  1  0.798568  0.319606  0.450735  1
  Ta  Ta99  1  0.464926  0.082267  0.418729  1
  Ta  Ta100  1  0.990412  0.456081  0.373583  1
  Ta  Ta101  1  0.551611  0.853033  0.446360  1
  Ta  Ta102  1  0.077065  0.226064  0.401248  1
  Ta  Ta103  1  0.741696  0.990162  0.368283  1
  Ta  Ta104  1  0.216837  0.615389  0.414237  1
  Ta  Ta105  1  0.449943  0.708075  0.372570  1
  Ta  Ta106  1  0.924022  0.336220  0.418403  1
  Ta  Ta107  1  0.361033  0.385498  0.412235  1
  Ta  Ta108  1  0.886622  0.758096  0.366181  1
  Ta  Ta109  1  0.679354  0.423269  0.406698  1
  Ta  Ta110  1  0.154563  0.049391  0.452692  1
  Ta  Ta111  1  0.591968  0.098335  0.446243  1
  Ta  Ta112  1  0.117192  0.468878  0.400576  1
  Ta  Ta113  1  0.386677  0.258100  0.366467  1
  Ta  Ta114  1  0.861030  0.885077  0.411816  1
  Ta  Ta115  1  0.618588  0.970713  0.400541  1
  Ta  Ta116  1  0.092224  0.598808  0.446535  1
  Ta  Ta117  1  0.424073  0.835532  0.418416  1
  Ta  Ta118  1  0.949409  0.207397  0.373247  1
  Ta  Ta119  1  0.655467  0.549521  0.452506  1
  Ta  Ta120  1  0.181281  0.918927  0.406806  1
  Ta  Ta121  1  0.245258  0.780365  0.455362  1
  Ta  Ta122  1  0.719899  0.407888  0.501028  1
  Ta  Ta123  1  0.482872  0.094222  0.478145  1
  Ta  Ta124  1  0.957027  0.721326  0.523851  1
  Ta  Ta125  1  0.238980  0.205449  0.525615  1
  Ta  Ta126  1  0.763955  0.579131  0.480070  1
  Ta  Ta127  1  0.361770  0.240431  0.460453  1
  Ta  Ta128  1  0.835911  0.867991  0.506332  1
  Ta  Ta129  1  0.603923  0.947700  0.495727  1
  Ta  Ta130  1  0.078199  0.574924  0.541483  1
  Ta  Ta131  1  0.675876  0.236582  0.521990  1
  Ta  Ta132  1  0.201034  0.609591  0.476357  1
  Ta  Ta133  1  0.414543  0.567042  0.542341  1
  Ta  Ta134  1  0.939587  0.940605  0.496831  1
  Ta  Ta135  1  0.500277  0.874967  0.505197  1
  Ta  Ta136  1  0.025417  0.248237  0.459679  1
  Ta  Ta137  1  0.592657  0.456399  0.494534  1
  Ta  Ta138  1  0.067178  0.083593  0.540293  1
  Ta  Ta139  1  0.372822  0.731637  0.461651  1
  Ta  Ta140  1  0.847169  0.359270  0.507514  1
  Ta  Ta141  1  0.284266  0.385618  0.503793  1
  Ta  Ta142  1  0.809120  0.760094  0.458351  1
  Ta  Ta143  1  0.709736  0.019479  0.487328  1
  Ta  Ta144  1  0.184372  0.645905  0.532887  1
  Ta  Ta145  1  0.255629  0.169292  0.469083  1
  Ta  Ta146  1  0.730090  0.796253  0.514727  1
  Ta  Ta147  1  0.630714  0.055601  0.543717  1
  Ta  Ta148  1  0.155740  0.429497  0.498169  1
  Ta  Ta149  1  0.396720  0.797189  0.514619  1
  Ta  Ta150  1  0.921550  0.170949  0.469194  1
  Ta  Ta151  1  0.518335  0.644596  0.532857  1
  Ta  Ta152  1  0.043228  0.018049  0.487368  1
  Ta  Ta153  1  0.459188  0.509091  0.488457  1
  Ta  Ta154  1  0.933439  0.136216  0.534199  1
  Ta  Ta155  1  0.506453  0.679406  0.467808  1
  Ta  Ta156  1  0.980713  0.306343  0.513530  1
  Ta  Ta157  1  0.273657  0.945678  0.496394  1
  Ta  Ta158  1  0.748101  0.572893  0.542249  1
  Ta  Ta159  1  0.414006  0.335427  0.509870  1
  Ta  Ta160  1  0.939022  0.709088  0.464406  1
  Ta  Ta161  1  0.500878  0.106353  0.537631  1
  Ta  Ta162  1  0.025939  0.479958  0.492155  1
  Ta  Ta163  1  0.691706  0.242882  0.459806  1
  Ta  Ta164  1  0.166335  0.869428  0.505557  1
  Ta  Ta165  1  0.398923  0.962015  0.463917  1
  Ta  Ta166  1  0.872829  0.589974  0.509758  1
  Ta  Ta167  1  0.310110  0.639476  0.503648  1
  Ta  Ta168  1  0.835263  0.012028  0.457893  1
  Ta  Ta169  1  0.629228  0.676841  0.498587  1
  Ta  Ta170  1  0.104048  0.303849  0.544201  1
  Ta  Ta171  1  0.541455  0.352099  0.537836  1
  Ta  Ta172  1  0.066464  0.725122  0.492235  1
  Ta  Ta173  1  0.335957  0.511357  0.457797  1
  Ta  Ta174  1  0.810591  0.138915  0.503473  1
  Ta  Ta175  1  0.567000  0.225716  0.492272  1
  Ta  Ta176  1  0.041020  0.853354  0.538067  1
  Ta  Ta177  1  0.373451  0.090274  0.509739  1
  Ta  Ta178  1  0.898460  0.463350  0.464234  1
  Ta  Ta179  1  0.604551  0.803608  0.544186  1
  Ta  Ta180  1  0.129869  0.175833  0.498338  1
  Ta  Ta181  1  0.194770  0.034586  0.546575  1
  Ta  Ta182  1  0.669810  0.660973  0.592604  1
  Ta  Ta183  1  0.431921  0.347425  0.569239  1
  Ta  Ta184  1  0.905882  0.975229  0.614774  1
  Ta  Ta185  1  0.188375  0.459693  0.616502  1
  Ta  Ta186  1  0.713674  0.831789  0.571374  1
  Ta  Ta187  1  0.310826  0.494163  0.551669  1
  Ta  Ta188  1  0.784624  0.122316  0.598188  1
  Ta  Ta189  1  0.552972  0.200055  0.586853  1
  Ta  Ta190  1  0.027376  0.827762  0.632150  1
  Ta  Ta191  1  0.625726  0.488709  0.612701  1
  Ta  Ta192  1  0.150596  0.863351  0.567311  1
  Ta  Ta193  1  0.364214  0.819578  0.633059  1
  Ta  Ta194  1  0.888650  0.194504  0.588057  1
  Ta  Ta195  1  0.449284  0.128818  0.596642  1
  Ta  Ta196  1  0.974613  0.501738  0.550764  1
  Ta  Ta197  1  0.542322  0.709856  0.585809  1
  Ta  Ta198  1  0.016523  0.335264  0.631281  1
  Ta  Ta199  1  0.322254  0.985501  0.552859  1
  Ta  Ta200  1  0.796794  0.612855  0.599311  1
  Ta  Ta201  1  0.233257  0.639481  0.594990  1
  Ta  Ta202  1  0.758757  0.013110  0.549761  1
  Ta  Ta203  1  0.659325  0.271769  0.578587  1
  Ta  Ta204  1  0.133662  0.898646  0.623519  1
  Ta  Ta205  1  0.204869  0.422781  0.560164  1
  Ta  Ta206  1  0.679562  0.048856  0.605981  1
  Ta  Ta207  1  0.580717  0.305919  0.634102  1
  Ta  Ta208  1  0.104998  0.683203  0.589272  1
  Ta  Ta209  1  0.346374  0.050534  0.605824  1
  Ta  Ta210  1  0.870800  0.424852  0.560551  1
  Ta  Ta211  1  0.467816  0.898127  0.623994  1
  Ta  Ta212  1  0.992544  0.271390  0.578471  1
  Ta  Ta213  1  0.408616  0.762536  0.579501  1
  Ta  Ta214  1  0.882972  0.388743  0.625615  1
  Ta  Ta215  1  0.455875  0.933133  0.559109  1
  Ta  Ta216  1  0.930210  0.558584  0.604676  1
  Ta  Ta217  1  0.223269  0.199316  0.587668  1
  Ta  Ta218  1  0.698325  0.825386  0.633827  1
  Ta  Ta219  1  0.362796  0.589152  0.600849  1
  Ta  Ta220  1  0.888235  0.962692  0.555590  1
  Ta  Ta221  1  0.449363  0.359415  0.628525  1
  Ta  Ta222  1  0.975012  0.733400  0.583228  1
  Ta  Ta223  1  0.641275  0.496097  0.551342  1
  Ta  Ta224  1  0.115977  0.122852  0.596735  1
  Ta  Ta225  1  0.347812  0.216273  0.555466  1
  Ta  Ta226  1  0.821258  0.845162  0.601450  1
  Ta  Ta227  1  0.258645  0.896154  0.595211  1
  Ta  Ta228  1  0.784301  0.266388  0.549548  1
  Ta  Ta229  1  0.578869  0.930422  0.590289  1
  Ta  Ta230  1  0.053417  0.557175  0.635624  1
  Ta  Ta231  1  0.490358  0.607918  0.628855  1
  Ta  Ta232  1  0.015751  0.980224  0.583532  1
  Ta  Ta233  1  0.285402  0.765721  0.549322  1
  Ta  Ta234  1  0.760417  0.392806  0.595365  1
  Ta  Ta235  1  0.515863  0.479246  0.583678  1
  Ta  Ta236  1  0.989805  0.107663  0.629418  1
  Ta  Ta237  1  0.322831  0.346286  0.601410  1
  Ta  Ta238  1  0.847938  0.717250  0.555791  1
  Ta  Ta239  1  0.553326  0.057384  0.635939  1
  Ta  Ta240  1  0.078814  0.430307  0.589708  1
  Ta  Ta241  1  0.144717  0.286653  0.637639  1
  Ta  Ta242  1  0.619080  0.910834  0.683714  1
  Ta  Ta243  1  0.379766  0.598227  0.659777  1
  Ta  Ta244  1  0.860943  0.214447  0.707659  1
  Ta  Ta245  1  0.134343  0.708265  0.708114  1
  Ta  Ta246  1  0.664353  0.080407  0.662204  1
  Ta  Ta247  1  0.259765  0.747293  0.642494  1
  Ta  Ta248  1  0.733847  0.376975  0.690256  1
  Ta  Ta249  1  0.501757  0.451479  0.676070  1
  Ta  Ta250  1  0.982734  0.083038  0.724673  1
  Ta  Ta251  1  0.575377  0.734498  0.705412  1
  Ta  Ta252  1  0.101310  0.114278  0.657855  1
  Ta  Ta253  1  0.315577  0.065840  0.723215  1
  Ta  Ta254  1  0.840339  0.438089  0.679389  1
  Ta  Ta255  1  0.395916  0.385225  0.690517  1
  Ta  Ta256  1  0.924743  0.753697  0.641045  1
  Ta  Ta257  1  0.492670  0.955924  0.676926  1
  Ta  Ta258  1  0.973755  0.591580  0.721774  1
  Ta  Ta259  1  0.271541  0.237552  0.643423  1
  Ta  Ta260  1  0.748667  0.867206  0.693128  1
  Ta  Ta261  1  0.183055  0.890738  0.684979  1
  Ta  Ta262  1  0.707904  0.267344  0.641670  1
  Ta  Ta263  1  0.608908  0.524832  0.668106  1
  Ta  Ta264  1  0.085043  0.135893  0.711164  1
  Ta  Ta265  1  0.153476  0.678770  0.652101  1
  Ta  Ta266  1  0.626418  0.299711  0.694897  1
  Ta  Ta267  1  0.534972  0.553286  0.720807  1
  Ta  Ta268  1  0.054504  0.933094  0.679484  1
  Ta  Ta269  1  0.296993  0.295895  0.694464  1
  Ta  Ta270  1  0.820541  0.676839  0.652477  1
  Ta  Ta271  1  0.422725  0.138135  0.712187  1
  Ta  Ta272  1  0.943991  0.524570  0.669644  1
  Ta  Ta273  1  0.358257  0.017001  0.670614  1
  Ta  Ta274  1  0.841967  0.622384  0.712371  1
  Ta  Ta275  1  0.406064  0.187603  0.650954  1
  Ta  Ta276  1  0.882929  0.807102  0.693491  1
  Ta  Ta277  1  0.171941  0.454738  0.676268  1
  Ta  Ta278  1  0.641497  0.084580  0.718612  1
  Ta  Ta279  1  0.314717  0.842461  0.689607  1
  Ta  Ta280  1  0.837341  0.215443  0.647443  1
  Ta  Ta281  1  0.403247  0.611570  0.714555  1
  Ta  Ta282  1  0.924835  0.988016  0.673087  1
  Ta  Ta283  1  0.591000  0.748952  0.642487  1
  Ta  Ta284  1  0.065658  0.372556  0.685634  1
  Ta  Ta285  1  0.296290  0.470737  0.647898  1
  Ta  Ta286  1  0.770630  0.106108  0.693428  1
  Ta  Ta287  1  0.207200  0.154530  0.688406  1
  Ta  Ta288  1  0.733552  0.520102  0.641824  1
  Ta  Ta289  1  0.525909  0.188472  0.681553  1
  Ta  Ta290  1  0.989595  0.836128  0.722846  1
  Ta  Ta291  1  0.431114  0.858878  0.720224  1
  Ta  Ta292  1  0.965569  0.229682  0.675792  1
  Ta  Ta293  1  0.235357  0.020240  0.641749  1
  Ta  Ta294  1  0.710059  0.655385  0.686500  1
  Ta  Ta295  1  0.465452  0.733375  0.675254  1
  Ta  Ta296  1  0.950374  0.366278  0.719339  1
  Ta  Ta297  1  0.266508  0.608641  0.693172  1
  Ta  Ta298  1  0.798014  0.970991  0.648294  1
  Ta  Ta299  1  0.503623  0.329727  0.725833  1
  Ta  Ta300  1  0.029755  0.684672  0.681492  1
