# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.20748006
_cell_length_b   13.11326032
_cell_length_c   47.07485781
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.76649528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta176
_cell_volume   7024.15205108
_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  0.065903  0.947356  0.349327  1
  Ta  Ta2  1  0.732715  0.139340  0.296946  1
  Ta  Ta3  1  0.258930  0.492225  0.370973  1
  Ta  Ta4  1  0.899709  0.610379  0.321695  1
  Ta  Ta5  1  0.180168  0.792488  0.306820  1
  Ta  Ta6  1  0.448278  0.718715  0.385113  1
  Ta  Ta7  1  0.996391  0.309690  0.382000  1
  Ta  Ta8  1  0.674702  0.391965  0.317239  1
  Ta  Ta9  1  0.269762  0.688151  0.355822  1
  Ta  Ta10  1  0.903340  0.839688  0.309925  1
  Ta  Ta11  1  0.230216  0.287529  0.384770  1
  Ta  Ta12  1  0.885273  0.410462  0.334426  1
  Ta  Ta13  1  0.268870  0.390314  0.284025  1
  Ta  Ta14  1  0.605168  0.226470  0.343077  1
  Ta  Ta15  1  0.192414  0.008835  0.298304  1
  Ta  Ta16  1  0.538485  0.857183  0.353610  1
  Ta  Ta17  1  0.362916  0.320963  0.335909  1
  Ta  Ta18  1  0.014553  0.438439  0.283596  1
  Ta  Ta19  1  0.435689  0.938410  0.300056  1
  Ta  Ta20  1  0.795371  0.774695  0.358607  1
  Ta  Ta21  1  0.031677  0.533081  0.368521  1
  Ta  Ta22  1  0.668433  0.601940  0.348313  1
  Ta  Ta23  1  0.131704  0.581767  0.315686  1
  Ta  Ta24  1  0.494844  0.486825  0.357111  1
  Ta  Ta25  1  0.468533  0.697787  0.318125  1
  Ta  Ta26  1  0.831929  0.534167  0.388404  1
  Ta  Ta27  1  0.365206  0.539764  0.309789  1
  Ta  Ta28  1  0.724507  0.354406  0.378843  1
  Ta  Ta29  1  0.090989  0.158096  0.339450  1
  Ta  Ta30  1  0.483238  0.108546  0.379785  1
  Ta  Ta31  1  0.222580  0.203024  0.291937  1
  Ta  Ta32  1  0.631893  0.989596  0.328630  1
  Ta  Ta33  1  0.335106  0.093276  0.340377  1
  Ta  Ta34  1  0.946429  0.255243  0.293345  1
  Ta  Ta35  1  0.466420  0.152328  0.299351  1
  Ta  Ta36  1  0.827795  1.000404  0.349883  1
  Ta  Ta37  1  0.126459  0.361914  0.331460  1
  Ta  Ta38  1  0.748661  0.537802  0.290849  1
  Ta  Ta39  1  0.034675  0.743490  0.357086  1
  Ta  Ta40  1  0.678136  0.768920  0.306231  1
  Ta  Ta41  1  0.300343  0.896382  0.347247  1
  Ta  Ta42  1  0.968502  0.026039  0.299510  1
  Ta  Ta43  1  0.510539  0.338092  0.292142  1
  Ta  Ta44  1  0.854597  0.195186  0.341409  1
  Ta  Ta45  1  0.756968  0.794693  0.460872  1
  Ta  Ta46  1  0.415736  0.927016  0.403232  1
  Ta  Ta47  1  0.931793  0.232688  0.490294  1
  Ta  Ta48  1  0.592531  0.357148  0.435406  1
  Ta  Ta49  1  0.792918  0.586916  0.447612  1
  Ta  Ta50  1  0.148931  0.461271  0.499708  1
  Ta  Ta51  1  0.673002  0.054278  0.492189  1
  Ta  Ta52  1  0.340769  0.172704  0.432616  1
  Ta  Ta53  1  0.960740  0.419751  0.478200  1
  Ta  Ta54  1  0.619020  0.540298  0.413546  1
  Ta  Ta55  1  0.906791  0.037849  0.498668  1
  Ta  Ta56  1  0.566142  0.161465  0.441811  1
  Ta  Ta57  1  0.950355  0.117205  0.394851  1
  Ta  Ta58  1  0.281513  0.994228  0.451966  1
  Ta  Ta59  1  0.897403  0.713588  0.412448  1
  Ta  Ta60  1  0.232066  0.604896  0.468731  1
  Ta  Ta61  1  0.048594  0.008770  0.447030  1
  Ta  Ta62  1  0.712366  0.141691  0.394618  1
  Ta  Ta63  1  0.139289  0.653171  0.412635  1
  Ta  Ta64  1  0.476163  0.530017  0.469672  1
  Ta  Ta65  1  0.664193  0.271362  0.496047  1
  Ta  Ta66  1  0.309742  0.406504  0.438315  1
  Ta  Ta67  1  0.849667  0.361239  0.428849  1
  Ta  Ta68  1  0.200057  0.251980  0.481058  1
  Ta  Ta69  1  0.063908  0.449309  0.427116  1
  Ta  Ta70  1  0.430119  0.307733  0.486923  1
  Ta  Ta71  1  0.074479  0.210205  0.437710  1
  Ta  Ta72  1  0.414048  0.087622  0.493708  1
  Ta  Ta73  1  0.804647  0.974214  0.445105  1
  Ta  Ta74  1  0.151194  0.855151  0.498681  1
  Ta  Ta75  1  0.938699  0.902460  0.398550  1
  Ta  Ta76  1  0.291443  0.775309  0.448651  1
  Ta  Ta77  1  0.025606  0.811436  0.454761  1
  Ta  Ta78  1  0.680424  0.937601  0.397756  1
  Ta  Ta79  1  0.185664  0.861088  0.399692  1
  Ta  Ta80  1  0.522977  0.742465  0.452942  1
  Ta  Ta81  1  0.805976  0.182352  0.447742  1
  Ta  Ta82  1  0.465305  0.319981  0.392399  1
  Ta  Ta83  1  0.719908  0.442514  0.475565  1
  Ta  Ta84  1  0.380986  0.570364  0.413971  1
  Ta  Ta85  1  0.996234  0.623686  0.465704  1
  Ta  Ta86  1  0.653773  0.741982  0.405188  1
  Ta  Ta87  1  0.196148  0.078879  0.392367  1
  Ta  Ta88  1  0.542176  0.958724  0.448883  1
  Ta  Ta89  1  0.444809  0.561624  0.570791  1
  Ta  Ta90  1  0.098982  0.670805  0.518014  1
  Ta  Ta91  1  0.616348  0.987293  0.601308  1
  Ta  Ta92  1  0.270403  0.113091  0.545605  1
  Ta  Ta93  1  0.502481  0.336669  0.552408  1
  Ta  Ta94  1  0.844323  0.206711  0.615546  1
  Ta  Ta95  1  0.345919  0.809658  0.605545  1
  Ta  Ta96  1  0.015361  0.930714  0.547978  1
  Ta  Ta97  1  0.639975  0.183357  0.595135  1
  Ta  Ta98  1  0.300823  0.299266  0.534025  1
  Ta  Ta99  1  0.586498  0.787262  0.606771  1
  Ta  Ta100  1  0.247797  0.916379  0.553383  1
  Ta  Ta101  1  0.622390  0.870678  0.507982  1
  Ta  Ta102  1  0.961674  0.745985  0.565122  1
  Ta  Ta103  1  0.577475  0.480620  0.524535  1
  Ta  Ta104  1  0.913705  0.353457  0.586193  1
  Ta  Ta105  1  0.730931  0.760849  0.557583  1
  Ta  Ta106  1  0.389187  0.886659  0.501550  1
  Ta  Ta107  1  0.820800  0.393686  0.530366  1
  Ta  Ta108  1  0.155308  0.273343  0.587329  1
  Ta  Ta109  1  0.358719  0.020908  0.602676  1
  Ta  Ta110  1  0.004887  0.149553  0.551588  1
  Ta  Ta111  1  0.539081  0.128337  0.539475  1
  Ta  Ta112  1  0.880669  1.001023  0.596517  1
  Ta  Ta113  1  0.772615  0.182928  0.547418  1
  Ta  Ta114  1  0.109894  0.064851  0.600873  1
  Ta  Ta115  1  0.755562  0.963803  0.551220  1
  Ta  Ta116  1  0.098557  0.846098  0.607305  1
  Ta  Ta117  1  0.490419  0.740824  0.553020  1
  Ta  Ta118  1  0.829290  0.604458  0.607509  1
  Ta  Ta119  1  0.631741  0.653001  0.504203  1
  Ta  Ta120  1  0.985210  0.516944  0.561871  1
  Ta  Ta121  1  0.702765  0.566297  0.564750  1
  Ta  Ta122  1  0.365524  0.691209  0.509769  1
  Ta  Ta123  1  0.867655  0.613030  0.512716  1
  Ta  Ta124  1  0.230313  0.477756  0.571568  1
  Ta  Ta125  1  0.489837  0.949290  0.555356  1
  Ta  Ta126  1  0.145863  0.069608  0.501464  1
  Ta  Ta127  1  0.397749  0.210746  0.588067  1
  Ta  Ta128  1  0.064763  0.319865  0.530962  1
  Ta  Ta129  1  0.674841  0.384201  0.586597  1
  Ta  Ta130  1  0.337656  0.502410  0.520896  1
  Ta  Ta131  1  0.882838  0.835918  0.506161  1
  Ta  Ta132  1  0.222408  0.714939  0.561820  1
  Ta  Ta133  1  0.158377  0.348376  0.684027  1
  Ta  Ta134  1  0.797648  0.437209  0.642387  1
  Ta  Ta135  1  0.345323  0.670682  0.706811  1
  Ta  Ta136  1  0.960551  0.829273  0.659337  1
  Ta  Ta137  1  0.109562  0.137260  0.693567  1
  Ta  Ta138  1  0.578831  0.967361  0.705501  1
  Ta  Ta139  1  0.021794  0.536491  0.714884  1
  Ta  Ta140  1  0.686334  0.689157  0.657120  1
  Ta  Ta141  1  0.336828  0.906906  0.702000  1
  Ta  Ta142  1  0.992413  0.028205  0.653590  1
  Ta  Ta143  1  0.275549  0.488773  0.716029  1
  Ta  Ta144  1  0.921304  0.620734  0.664224  1
  Ta  Ta145  1  0.297671  0.617639  0.617660  1
  Ta  Ta146  1  0.620645  0.523410  0.682629  1
  Ta  Ta147  1  0.255687  0.186840  0.641726  1
  Ta  Ta148  1  0.612657  0.155419  0.693742  1
  Ta  Ta149  1  0.405975  0.516368  0.665344  1
  Ta  Ta150  1  0.065401  0.636841  0.614455  1
  Ta  Ta151  1  0.502328  0.138100  0.643830  1
  Ta  Ta152  1  0.843810  0.978691  0.700317  1
  Ta  Ta153  1  0.066903  0.725188  0.708515  1
  Ta  Ta154  1  0.702154  0.890024  0.660505  1
  Ta  Ta155  1  0.228136  0.980100  0.651901  1
  Ta  Ta156  1  0.567017  0.761278  0.705002  1
  Ta  Ta157  1  0.468433  0.930920  0.654427  1
  Ta  Ta158  1  0.815750  0.772476  0.706720  1
  Ta  Ta159  1  0.438172  0.732042  0.658864  1
  Ta  Ta160  1  0.782886  0.580001  0.708180  1
  Ta  Ta161  1  0.164048  0.567509  0.668221  1
  Ta  Ta162  1  0.539334  0.386038  0.709559  1
  Ta  Ta163  1  0.258384  0.396825  0.630465  1
  Ta  Ta164  1  0.623314  0.321225  0.651705  1
  Ta  Ta165  1  0.391306  0.317762  0.676905  1
  Ta  Ta166  1  0.030393  0.437097  0.630882  1
  Ta  Ta167  1  0.461233  0.390731  0.611483  1
  Ta  Ta168  1  0.821423  0.227428  0.682369  1
  Ta  Ta169  1  0.203398  0.769473  0.660717  1
  Ta  Ta170  1  0.829185  0.814911  0.612911  1
  Ta  Ta171  1  0.106145  0.917039  0.702168  1
  Ta  Ta172  1  0.753424  0.065542  0.647087  1
  Ta  Ta173  1  0.359077  0.116291  0.692038  1
  Ta  Ta174  1  0.022434  0.238034  0.644268  1
  Ta  Ta175  1  0.567263  0.572345  0.620757  1
  Ta  Ta176  1  0.926591  0.385140  0.689750  1
