# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30726529
_cell_length_b   22.67527520
_cell_length_c   54.38139936
_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   6544.45887025
_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  0.501216  0.639730  0.317296  1
  Ta  Ta2  1  0.500431  0.039541  0.399957  1
  Ta  Ta3  1  1.000164  0.005157  0.304428  1
  Ta  Ta4  1  1.000381  0.406850  0.385754  1
  Ta  Ta5  1  0.258157  0.033499  0.260205  1
  Ta  Ta6  1  0.249602  0.434209  0.338903  1
  Ta  Ta7  1  1.000523  0.953445  0.401997  1
  Ta  Ta8  1  0.000926  0.553666  0.319332  1
  Ta  Ta9  1  0.001034  0.644984  0.352341  1
  Ta  Ta10  1  0.998543  0.236474  0.271248  1
  Ta  Ta11  1  0.501559  0.714180  0.278438  1
  Ta  Ta12  1  0.500095  0.119600  0.361046  1
  Ta  Ta13  1  0.251676  0.609014  0.403339  1
  Ta  Ta14  1  0.251110  0.209098  0.319627  1
  Ta  Ta15  1  0.749359  0.988319  0.351369  1
  Ta  Ta16  1  0.751226  0.589157  0.270870  1
  Ta  Ta17  1  0.002715  0.789198  0.281047  1
  Ta  Ta18  1  1.000016  0.191060  0.367845  1
  Ta  Ta19  1  0.001335  0.675241  0.300469  1
  Ta  Ta20  1  1.000408  0.072896  0.384577  1
  Ta  Ta21  1  0.000962  0.860193  0.368425  1
  Ta  Ta22  1  0.000670  0.465140  0.286306  1
  Ta  Ta23  1  0.501040  0.798843  0.376982  1
  Ta  Ta24  1  0.500261  0.399779  0.290535  1
  Ta  Ta25  1  0.004827  0.913750  0.270026  1
  Ta  Ta26  1  0.999863  0.310894  0.351458  1
  Ta  Ta27  1  0.500742  0.720488  0.415377  1
  Ta  Ta28  1  0.499699  0.321047  0.329885  1
  Ta  Ta29  1  0.497008  0.159403  0.271909  1
  Ta  Ta30  1  0.500750  0.558301  0.354804  1
  Ta  Ta31  1  0.001023  0.737820  0.385481  1
  Ta  Ta32  1  0.999811  0.337501  0.302587  1
  Ta  Ta33  1  0.747952  0.031279  0.259677  1
  Ta  Ta34  1  0.751182  0.434104  0.338913  1
  Ta  Ta35  1  0.753311  0.762856  0.330381  1
  Ta  Ta36  1  0.751242  0.162533  0.414417  1
  Ta  Ta37  1  1.000111  0.099416  0.335431  1
  Ta  Ta38  1  0.001286  0.690046  0.250247  1
  Ta  Ta39  1  0.749829  0.609022  0.403348  1
  Ta  Ta40  1  0.747103  0.209218  0.319701  1
  Ta  Ta41  1  0.249839  0.762895  0.330367  1
  Ta  Ta42  1  0.249326  0.162546  0.414418  1
  Ta  Ta43  1  0.500987  0.877355  0.339144  1
  Ta  Ta44  1  0.500838  0.482563  0.255686  1
  Ta  Ta45  1  0.251626  0.988324  0.351354  1
  Ta  Ta46  1  0.251028  0.589176  0.270877  1
  Ta  Ta47  1  0.501061  0.681932  0.366073  1
  Ta  Ta48  1  0.498729  0.281063  0.280188  1
  Ta  Ta49  1  0.500421  0.955442  0.298643  1
  Ta  Ta50  1  0.500275  0.358383  0.380997  1
  Ta  Ta51  1  0.996270  0.123702  0.285807  1
  Ta  Ta52  1  0.000625  0.524499  0.369677  1
  Ta  Ta53  1  0.503360  0.837215  0.289688  1
  Ta  Ta54  1  0.499995  0.239939  0.371178  1
  Ta  Ta55  1  0.000980  0.883003  0.317514  1
  Ta  Ta56  1  1.000244  0.287074  0.401600  1
  Ta  Ta57  1  0.500538  0.916224  0.388512  1
  Ta  Ta58  1  0.500875  0.514652  0.305333  1
  Ta  Ta59  1  0.500071  0.077525  0.310355  1
  Ta  Ta60  1  0.500556  0.477653  0.392983  1
  Ta  Ta61  1  0.500547  0.439646  0.483364  1
  Ta  Ta62  1  0.500556  0.839260  0.566573  1
  Ta  Ta63  1  0.000677  0.806932  0.469683  1
  Ta  Ta64  1  1.000350  0.207537  0.553159  1
  Ta  Ta65  1  0.249667  0.835371  0.423188  1
  Ta  Ta66  1  0.249477  0.236175  0.506572  1
  Ta  Ta67  1  0.000685  0.753320  0.568737  1
  Ta  Ta68  1  1.000494  0.353326  0.485389  1
  Ta  Ta69  1  0.000596  0.444524  0.519202  1
  Ta  Ta70  1  1.000427  0.044517  0.435840  1
  Ta  Ta71  1  0.500605  0.519047  0.444255  1
  Ta  Ta72  1  0.500502  0.919492  0.527823  1
  Ta  Ta73  1  0.251582  0.409379  0.570744  1
  Ta  Ta74  1  0.251440  0.009468  0.486914  1
  Ta  Ta75  1  0.749647  0.788360  0.517649  1
  Ta  Ta76  1  0.749499  0.388469  0.433849  1
  Ta  Ta77  1  0.000713  0.590314  0.451413  1
  Ta  Ta78  1  1.000399  0.990895  0.534876  1
  Ta  Ta79  1  0.000551  0.472117  0.467785  1
  Ta  Ta80  1  1.000512  0.872570  0.551339  1
  Ta  Ta81  1  0.000702  0.659785  0.535530  1
  Ta  Ta82  1  1.000396  0.260514  0.451804  1
  Ta  Ta83  1  0.500712  0.598403  0.544165  1
  Ta  Ta84  1  0.500392  0.199443  0.460414  1
  Ta  Ta85  1  0.000721  0.710698  0.435587  1
  Ta  Ta86  1  1.000415  0.111351  0.519077  1
  Ta  Ta87  1  0.500826  0.520429  0.582829  1
  Ta  Ta88  1  0.500435  0.121136  0.498780  1
  Ta  Ta89  1  0.500541  0.958573  0.437991  1
  Ta  Ta90  1  0.500543  0.358211  0.521224  1
  Ta  Ta91  1  0.000708  0.537335  0.552785  1
  Ta  Ta92  1  1.000400  0.138056  0.469042  1
  Ta  Ta93  1  0.751799  0.835381  0.423185  1
  Ta  Ta94  1  0.751395  0.236182  0.506571  1
  Ta  Ta95  1  0.751608  0.561670  0.498007  1
  Ta  Ta96  1  0.751400  0.962481  0.581369  1
  Ta  Ta97  1  0.000540  0.898910  0.502282  1
  Ta  Ta98  1  0.000586  0.498583  0.418674  1
  Ta  Ta99  1  0.749685  0.409377  0.570745  1
  Ta  Ta100  1  0.749503  0.009465  0.486907  1
  Ta  Ta101  1  0.249694  0.561664  0.498008  1
  Ta  Ta102  1  0.249243  0.962464  0.581374  1
  Ta  Ta103  1  0.500648  0.676701  0.505784  1
  Ta  Ta104  1  0.500298  0.277422  0.421762  1
  Ta  Ta105  1  0.251584  0.788364  0.517656  1
  Ta  Ta106  1  0.251422  0.388470  0.433848  1
  Ta  Ta107  1  0.500622  0.480938  0.533231  1
  Ta  Ta108  1  0.500397  0.081703  0.449512  1
  Ta  Ta109  1  0.500683  0.758337  0.465619  1
  Ta  Ta110  1  0.500359  0.159012  0.549027  1
  Ta  Ta111  1  0.000573  0.925257  0.453227  1
  Ta  Ta112  1  0.000539  0.325733  0.536807  1
  Ta  Ta113  1  0.500704  0.638844  0.455526  1
  Ta  Ta114  1  0.500388  0.039492  0.538927  1
  Ta  Ta115  1  0.000663  0.686492  0.485487  1
  Ta  Ta116  1  1.000331  0.087138  0.568965  1
  Ta  Ta117  1  0.500715  0.716137  0.555059  1
  Ta  Ta118  1  0.500468  0.316910  0.471358  1
  Ta  Ta119  1  0.500576  0.878333  0.476739  1
  Ta  Ta120  1  0.500468  0.278797  0.560320  1
  Ta  Ta121  1  0.500260  0.239638  0.649663  1
  Ta  Ta122  1  0.504499  0.638437  0.732670  1
  Ta  Ta123  1  0.001155  0.606778  0.636739  1
  Ta  Ta124  1  0.997564  0.008642  0.723203  1
  Ta  Ta125  1  0.249890  0.635312  0.590164  1
  Ta  Ta126  1  0.247224  0.035219  0.674166  1
  Ta  Ta127  1  0.002803  0.561359  0.733305  1
  Ta  Ta128  1  0.999955  0.152290  0.652647  1
  Ta  Ta129  1  1.000035  0.243706  0.685249  1
  Ta  Ta130  1  0.000608  0.844414  0.602576  1
  Ta  Ta131  1  0.500516  0.320231  0.611570  1
  Ta  Ta132  1  0.501185  0.720204  0.694208  1
  Ta  Ta133  1  0.249928  0.208517  0.733444  1
  Ta  Ta134  1  0.251794  0.809568  0.653193  1
  Ta  Ta135  1  0.750196  0.588722  0.684956  1
  Ta  Ta136  1  0.749379  0.188825  0.601222  1
  Ta  Ta137  1  0.000720  0.390901  0.618851  1
  Ta  Ta138  1  0.001328  0.792810  0.700144  1
  Ta  Ta139  1  1.000406  0.273081  0.634930  1
  Ta  Ta140  1  0.005358  0.674190  0.718779  1
  Ta  Ta141  1  0.001368  0.460248  0.701999  1
  Ta  Ta142  1  0.999947  0.060121  0.619077  1
  Ta  Ta143  1  0.500855  0.397975  0.714077  1
  Ta  Ta144  1  0.499934  0.999050  0.627563  1
  Ta  Ta145  1  0.000886  0.510721  0.602994  1
  Ta  Ta146  1  1.000088  0.915133  0.687118  1
  Ta  Ta147  1  0.500234  0.314501  0.748893  1
  Ta  Ta148  1  0.500036  0.920568  0.665367  1
  Ta  Ta149  1  0.500698  0.758310  0.604616  1
  Ta  Ta150  1  0.499640  0.158486  0.687056  1
  Ta  Ta151  1  1.000397  0.332246  0.718293  1
  Ta  Ta152  1  1.000040  0.937722  0.636142  1
  Ta  Ta153  1  0.751811  0.635297  0.590162  1
  Ta  Ta154  1  0.751224  0.035154  0.674194  1
  Ta  Ta155  1  0.751504  0.363541  0.665678  1
  Ta  Ta156  1  0.742710  0.764365  0.744315  1
  Ta  Ta157  1  0.001104  0.698453  0.669153  1
  Ta  Ta158  1  1.000486  0.299240  0.585922  1
  Ta  Ta159  1  0.749637  0.208446  0.733450  1
  Ta  Ta160  1  0.749579  0.809565  0.653219  1
  Ta  Ta161  1  0.249878  0.363655  0.665668  1
  Ta  Ta162  1  0.252885  0.766939  0.744894  1
  Ta  Ta163  1  0.501493  0.476719  0.674709  1
  Ta  Ta164  1  0.500300  0.077351  0.589148  1
  Ta  Ta165  1  0.254173  0.588586  0.684873  1
  Ta  Ta166  1  0.251180  0.188815  0.601214  1
  Ta  Ta167  1  0.500165  0.283182  0.699246  1
  Ta  Ta168  1  0.500606  0.881638  0.616040  1
  Ta  Ta169  1  0.501173  0.557880  0.633421  1
  Ta  Ta170  1  0.496708  0.960017  0.714861  1
  Ta  Ta171  1  0.000720  0.724952  0.620003  1
  Ta  Ta172  1  0.999393  0.121885  0.704952  1
  Ta  Ta173  1  0.500842  0.439450  0.623595  1
  Ta  Ta174  1  0.501185  0.842110  0.705760  1
  Ta  Ta175  1  0.001310  0.486915  0.653140  1
  Ta  Ta176  1  0.994750  0.884594  0.734595  1
  Ta  Ta177  1  0.502598  0.516749  0.724388  1
  Ta  Ta178  1  0.499930  0.115944  0.638402  1
  Ta  Ta179  1  0.501103  0.678241  0.643525  1
  Ta  Ta180  1  0.498657  0.081478  0.723824  1
