# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49481808
_cell_length_b   12.26661404
_cell_length_c   54.98637854
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95779903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta176
_cell_volume   7078.71806519
_cell_formula_units_Z   176
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  0.264714  0.404071  0.315263  1
  Ta  Ta2  1  0.266014  0.694582  0.368714  1
  Ta  Ta3  1  0.764702  0.048034  0.341685  1
  Ta  Ta4  1  0.758378  0.757471  0.287170  1
  Ta  Ta5  1  0.593788  0.422338  0.306093  1
  Ta  Ta6  1  0.585011  0.723009  0.362088  1
  Ta  Ta7  1  0.017400  0.362276  0.322432  1
  Ta  Ta8  1  0.029738  0.076846  0.271382  1
  Ta  Ta9  1  0.584606  0.948555  0.369208  1
  Ta  Ta10  1  0.587104  0.650791  0.313989  1
  Ta  Ta11  1  0.932320  0.152964  0.312312  1
  Ta  Ta12  1  0.931013  0.447262  0.367698  1
  Ta  Ta13  1  0.123884  0.518940  0.281054  1
  Ta  Ta14  1  0.097356  0.800274  0.339555  1
  Ta  Ta15  1  0.445328  0.301899  0.340823  1
  Ta  Ta16  1  0.439802  0.022400  0.287312  1
  Ta  Ta17  1  1.016780  0.009580  0.350206  1
  Ta  Ta18  1  1.004583  0.713971  0.297180  1
  Ta  Ta19  1  0.438953  0.077255  0.334564  1
  Ta  Ta20  1  0.461540  0.791522  0.281992  1
  Ta  Ta21  1  0.765764  0.326941  0.333966  1
  Ta  Ta22  1  0.742789  0.026363  0.280133  1
  Ta  Ta23  1  0.858660  0.504079  0.291469  1
  Ta  Ta24  1  0.827428  0.798077  0.341930  1
  Ta  Ta25  1  0.626982  0.174785  0.309168  1
  Ta  Ta26  1  0.626360  0.471725  0.361719  1
  Ta  Ta27  1  0.820460  0.279152  0.280398  1
  Ta  Ta28  1  0.816336  0.583748  0.334379  1
  Ta  Ta29  1  0.205853  0.226481  0.360505  1
  Ta  Ta30  1  0.207631  0.925066  0.304253  1
  Ta  Ta31  1  0.404807  0.527738  0.282280  1
  Ta  Ta32  1  0.402444  0.827899  0.333957  1
  Ta  Ta33  1  0.200922  0.149831  0.314158  1
  Ta  Ta34  1  0.200863  0.443827  0.369893  1
  Ta  Ta35  1  0.265894  0.972164  0.361116  1
  Ta  Ta36  1  0.273515  0.677833  0.307900  1
  Ta  Ta37  1  0.935101  0.219278  0.362083  1
  Ta  Ta38  1  0.929486  0.926691  0.305214  1
  Ta  Ta39  1  0.626937  0.196177  0.369325  1
  Ta  Ta40  1  0.625065  0.903456  0.315911  1
  Ta  Ta41  1  0.398198  0.262230  0.287973  1
  Ta  Ta42  1  0.404698  0.547739  0.341389  1
  Ta  Ta43  1  0.100878  0.297068  0.277782  1
  Ta  Ta44  1  0.088653  0.570933  0.332377  1
  Ta  Ta45  1  0.266410  0.988290  0.425094  1
  Ta  Ta46  1  0.266702  0.281580  0.480941  1
  Ta  Ta47  1  0.761354  0.635015  0.452909  1
  Ta  Ta48  1  0.762367  0.341882  0.397234  1
  Ta  Ta49  1  0.584841  0.015258  0.417903  1
  Ta  Ta50  1  0.584889  0.307848  0.473528  1
  Ta  Ta51  1  1.013925  0.950261  0.434954  1
  Ta  Ta52  1  1.013580  0.656990  0.378758  1
  Ta  Ta53  1  0.584897  0.532583  0.480397  1
  Ta  Ta54  1  0.584759  0.239922  0.424635  1
  Ta  Ta55  1  0.931656  0.740636  0.423958  1
  Ta  Ta56  1  0.931580  0.033817  0.479884  1
  Ta  Ta57  1  0.097864  0.093565  0.395790  1
  Ta  Ta58  1  0.097060  0.387330  0.451963  1
  Ta  Ta59  1  0.442935  0.886148  0.452547  1
  Ta  Ta60  1  0.442800  0.593599  0.396733  1
  Ta  Ta61  1  1.014196  0.596953  0.462973  1
  Ta  Ta62  1  1.014722  0.303631  0.407055  1
  Ta  Ta63  1  0.442938  0.661426  0.445619  1
  Ta  Ta64  1  0.442623  0.368699  0.389826  1
  Ta  Ta65  1  0.761253  0.912339  0.445198  1
  Ta  Ta66  1  0.760467  0.619319  0.389830  1
  Ta  Ta67  1  0.826536  0.089128  0.398012  1
  Ta  Ta68  1  0.825250  0.382040  0.453668  1
  Ta  Ta69  1  0.625374  0.766099  0.417466  1
  Ta  Ta70  1  0.625828  0.058504  0.473213  1
  Ta  Ta71  1  0.823978  0.872894  0.388665  1
  Ta  Ta72  1  0.823765  0.165696  0.444524  1
  Ta  Ta73  1  0.203246  0.812217  0.472261  1
  Ta  Ta74  1  0.204325  0.519110  0.416502  1
  Ta  Ta75  1  0.401723  0.118843  0.389633  1
  Ta  Ta76  1  0.401982  0.411962  0.445285  1
  Ta  Ta77  1  0.202959  0.735350  0.425609  1
  Ta  Ta78  1  0.203199  0.028635  0.481699  1
  Ta  Ta79  1  0.266901  0.558933  0.473077  1
  Ta  Ta80  1  0.266953  0.265696  0.417285  1
  Ta  Ta81  1  0.931507  0.806484  0.474019  1
  Ta  Ta82  1  0.933189  0.513297  0.417984  1
  Ta  Ta83  1  0.625997  0.781797  0.480766  1
  Ta  Ta84  1  0.625940  0.488643  0.425049  1
  Ta  Ta85  1  0.400902  0.842425  0.397013  1
  Ta  Ta86  1  0.401689  0.135437  0.452920  1
  Ta  Ta87  1  0.095331  0.866418  0.389833  1
  Ta  Ta88  1  0.095794  0.159850  0.445982  1
  Ta  Ta89  1  0.266757  0.574850  0.536643  1
  Ta  Ta90  1  0.268148  0.868056  0.591910  1
  Ta  Ta91  1  0.761560  0.220981  0.564245  1
  Ta  Ta92  1  0.761240  0.928007  0.508710  1
  Ta  Ta93  1  0.585260  0.600518  0.529275  1
  Ta  Ta94  1  0.586002  0.892802  0.584961  1
  Ta  Ta95  1  1.014733  0.536700  0.546935  1
  Ta  Ta96  1  1.014073  0.243554  0.490942  1
  Ta  Ta97  1  0.586279  0.117768  0.591816  1
  Ta  Ta98  1  0.585127  0.825329  0.536141  1
  Ta  Ta99  1  0.932506  0.327092  0.535853  1
  Ta  Ta100  1  0.934085  0.620405  0.591977  1
  Ta  Ta101  1  0.096504  0.680762  0.507867  1
  Ta  Ta102  1  0.094359  0.974547  0.564125  1
  Ta  Ta103  1  0.442443  0.471379  0.563838  1
  Ta  Ta104  1  0.442938  0.179064  0.508346  1
  Ta  Ta105  1  1.013811  0.183867  0.575182  1
  Ta  Ta106  1  1.014009  0.890285  0.518937  1
  Ta  Ta107  1  0.442799  0.246673  0.557239  1
  Ta  Ta108  1  0.442986  0.954324  0.501425  1
  Ta  Ta109  1  0.762484  0.498334  0.556741  1
  Ta  Ta110  1  0.761322  0.205373  0.500998  1
  Ta  Ta111  1  0.824765  0.674745  0.509524  1
  Ta  Ta112  1  0.823388  0.967372  0.565093  1
  Ta  Ta113  1  0.626025  0.351544  0.528917  1
  Ta  Ta114  1  0.627429  0.644070  0.584679  1
  Ta  Ta115  1  0.824805  0.458433  0.500237  1
  Ta  Ta116  1  0.825762  0.751155  0.556130  1
  Ta  Ta117  1  0.202034  0.396934  0.584600  1
  Ta  Ta118  1  0.202855  0.105501  0.528338  1
  Ta  Ta119  1  0.401912  0.705138  0.501062  1
  Ta  Ta120  1  0.401967  0.998557  0.556842  1
  Ta  Ta121  1  0.203613  0.321935  0.537712  1
  Ta  Ta122  1  0.203071  0.613713  0.593338  1
  Ta  Ta123  1  0.265381  0.145796  0.584934  1
  Ta  Ta124  1  0.266680  0.852370  0.528952  1
  Ta  Ta125  1  0.932926  0.393729  0.586111  1
  Ta  Ta126  1  0.931702  0.099857  0.529943  1
  Ta  Ta127  1  0.626114  0.367914  0.591787  1
  Ta  Ta128  1  0.625861  0.074721  0.536461  1
  Ta  Ta129  1  0.401878  0.428413  0.508649  1
  Ta  Ta130  1  0.402607  0.720587  0.564295  1
  Ta  Ta131  1  0.096642  0.453240  0.502001  1
  Ta  Ta132  1  0.096994  0.746718  0.557909  1
  Ta  Ta133  1  0.264312  0.160967  0.648107  1
  Ta  Ta134  1  0.310960  0.468118  0.701314  1
  Ta  Ta135  1  0.755450  0.806785  0.673817  1
  Ta  Ta136  1  0.764635  0.513312  0.620148  1
  Ta  Ta137  1  0.586132  0.184373  0.640777  1
  Ta  Ta138  1  0.598571  0.460631  0.693663  1
  Ta  Ta139  1  1.014502  0.125874  0.659812  1
  Ta  Ta140  1  1.016019  0.830451  0.603088  1
  Ta  Ta141  1  0.562672  0.687167  0.699312  1
  Ta  Ta142  1  0.591284  0.409569  0.646658  1
  Ta  Ta143  1  0.940696  0.916249  0.649629  1
  Ta  Ta144  1  0.938312  0.189961  0.704075  1
  Ta  Ta145  1  0.089096  0.269211  0.621575  1
  Ta  Ta146  1  0.102699  0.559494  0.677664  1
  Ta  Ta147  1  0.439669  0.061660  0.674993  1
  Ta  Ta148  1  0.443446  0.763578  0.619340  1
  Ta  Ta149  1  0.023958  0.771836  0.684638  1
  Ta  Ta150  1  1.012850  0.476558  0.632494  1
  Ta  Ta151  1  0.443719  0.834351  0.667416  1
  Ta  Ta152  1  0.442160  0.537075  0.612357  1
  Ta  Ta153  1  0.766712  0.081422  0.666463  1
  Ta  Ta154  1  0.764236  0.791839  0.612863  1
  Ta  Ta155  1  0.819887  0.258249  0.620141  1
  Ta  Ta156  1  0.818851  0.562616  0.675551  1
  Ta  Ta157  1  0.626045  0.938383  0.640122  1
  Ta  Ta158  1  0.634682  0.221267  0.693834  1
  Ta  Ta159  1  0.829921  0.041774  0.611736  1
  Ta  Ta160  1  0.831798  0.332645  0.665852  1
  Ta  Ta161  1  0.169561  0.981822  0.690127  1
  Ta  Ta162  1  0.202322  0.686935  0.640080  1
  Ta  Ta163  1  0.401613  0.290094  0.612712  1
  Ta  Ta164  1  0.406854  0.584226  0.664638  1
  Ta  Ta165  1  0.213097  0.901681  0.647348  1
  Ta  Ta166  1  0.232223  0.197831  0.700968  1
  Ta  Ta167  1  0.271661  0.730047  0.694334  1
  Ta  Ta168  1  0.263278  0.436327  0.641087  1
  Ta  Ta169  1  0.903508  0.967930  0.700890  1
  Ta  Ta170  1  0.935851  0.687057  0.641912  1
  Ta  Ta171  1  0.623729  0.954639  0.699466  1
  Ta  Ta172  1  0.628019  0.659442  0.646801  1
  Ta  Ta173  1  0.403043  0.014956  0.620011  1
  Ta  Ta174  1  0.407544  0.311252  0.672419  1
  Ta  Ta175  1  0.099130  0.040874  0.614669  1
  Ta  Ta176  1  0.101536  0.338183  0.674149  1
