# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79268694
_cell_length_b   35.88944697
_cell_length_c   48.86050654
_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   Ta198
_cell_volume   8404.343465
_cell_formula_units_Z   198
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  0.503693  0.446493  0.331255  1
  Ta  Ta2  1  0.503693  0.794783  0.294443  1
  Ta  Ta3  1  0.503693  0.078943  0.382520  1
  Ta  Ta4  1  0.003693  0.636297  0.315223  1
  Ta  Ta5  1  0.003693  0.901143  0.409685  1
  Ta  Ta6  1  0.003693  0.263176  0.359523  1
  Ta  Ta7  1  0.503693  0.474665  0.384277  1
  Ta  Ta8  1  0.503693  0.839490  0.339373  1
  Ta  Ta9  1  0.503693  0.206901  0.292513  1
  Ta  Ta10  1  0.503693  0.691456  0.375987  1
  Ta  Ta11  1  0.503693  0.051686  0.327678  1
  Ta  Ta12  1  0.503693  0.327635  0.421674  1
  Ta  Ta13  1  0.003693  0.699201  0.347982  1
  Ta  Ta14  1  0.003693  0.033845  0.300355  1
  Ta  Ta15  1  0.003693  0.332955  0.392893  1
  Ta  Ta16  1  0.003693  0.470583  0.413089  1
  Ta  Ta17  1  0.003693  0.844224  0.369526  1
  Ta  Ta18  1  0.003693  0.182828  0.319888  1
  Ta  Ta19  1  0.503693  0.638561  0.415274  1
  Ta  Ta20  1  0.503693  0.997817  0.369580  1
  Ta  Ta21  1  0.503693  0.367760  0.317654  1
  Ta  Ta22  1  0.503693  0.534388  0.350891  1
  Ta  Ta23  1  0.503693  0.889615  0.299694  1
  Ta  Ta24  1  0.503693  0.164217  0.398079  1
  Ta  Ta25  1  0.003693  0.560778  0.324748  1
  Ta  Ta26  1  0.003693  0.827485  0.425679  1
  Ta  Ta27  1  0.003693  0.190680  0.375443  1
  Ta  Ta28  1  0.003693  0.727968  0.298140  1
  Ta  Ta29  1  0.003693  0.972638  0.391227  1
  Ta  Ta30  1  0.003693  0.336676  0.336779  1
  Ta  Ta31  1  0.503693  0.515023  0.298634  1
  Ta  Ta32  1  0.503693  0.787984  0.386248  1
  Ta  Ta33  1  0.503693  0.143493  0.344086  1
  Ta  Ta34  1  0.503693  0.747615  0.337614  1
  Ta  Ta35  1  0.503693  0.015996  0.429631  1
  Ta  Ta36  1  0.503693  0.381248  0.377127  1
  Ta  Ta37  1  0.003693  0.784933  0.335680  1
  Ta  Ta38  1  0.003693  0.050373  0.425803  1
  Ta  Ta39  1  0.003693  0.416107  0.373532  1
  Ta  Ta40  1  0.003693  0.480273  0.290422  1
  Ta  Ta41  1  0.003693  0.753211  0.388604  1
  Ta  Ta42  1  0.003693  0.105104  0.335796  1
  Ta  Ta43  1  0.503693  0.610246  0.353958  1
  Ta  Ta44  1  0.503693  0.968531  0.311476  1
  Ta  Ta45  1  0.503693  0.239600  0.402145  1
  Ta  Ta46  1  0.503693  0.563838  0.406914  1
  Ta  Ta47  1  0.503693  0.919589  0.361670  1
  Ta  Ta48  1  0.503693  0.288927  0.312096  1
  Ta  Ta49  1  0.003693  0.544479  0.385205  1
  Ta  Ta50  1  0.003693  0.905322  0.334776  1
  Ta  Ta51  1  0.003693  0.254319  0.302385  1
  Ta  Ta52  1  0.003693  0.624278  0.377364  1
  Ta  Ta53  1  0.003693  0.979637  0.335698  1
  Ta  Ta54  1  0.003693  0.258588  0.423316  1
  Ta  Ta55  1  0.503693  0.594550  0.299786  1
  Ta  Ta56  1  0.503693  0.860729  0.399703  1
  Ta  Ta57  1  0.503693  0.222737  0.345196  1
  Ta  Ta58  1  0.503693  0.676929  0.314318  1
  Ta  Ta59  1  0.503693  0.941053  0.416982  1
  Ta  Ta60  1  0.503693  0.305003  0.365468  1
  Ta  Ta61  1  0.003693  0.485735  0.346050  1
  Ta  Ta62  1  0.003693  0.843530  0.300630  1
  Ta  Ta63  1  0.003693  0.117400  0.395507  1
  Ta  Ta64  1  0.003693  0.684999  0.412600  1
  Ta  Ta65  1  0.003693  0.043686  0.365519  1
  Ta  Ta66  1  0.003693  0.410923  0.313500  1
  Ta  Ta67  1  0.503693  0.354814  0.474938  1
  Ta  Ta68  1  0.503693  0.719865  0.430195  1
  Ta  Ta69  1  0.503693  0.990177  0.527526  1
  Ta  Ta70  1  0.003693  0.537024  0.451946  1
  Ta  Ta71  1  0.003693  0.807774  0.551224  1
  Ta  Ta72  1  0.003693  0.172346  0.500925  1
  Ta  Ta73  1  0.503693  0.381806  0.528355  1
  Ta  Ta74  1  0.503693  0.745489  0.484307  1
  Ta  Ta75  1  0.503693  0.108673  0.434876  1
  Ta  Ta76  1  0.503693  0.598772  0.519020  1
  Ta  Ta77  1  0.503693  0.963066  0.474268  1
  Ta  Ta78  1  0.503693  0.235865  0.566880  1
  Ta  Ta79  1  0.003693  0.603416  0.490628  1
  Ta  Ta80  1  0.003693  0.968016  0.446511  1
  Ta  Ta81  1  0.003693  0.239398  0.537964  1
  Ta  Ta82  1  0.003693  0.376939  0.556089  1
  Ta  Ta83  1  0.003693  0.741094  0.512633  1
  Ta  Ta84  1  0.003693  0.105306  0.463891  1
  Ta  Ta85  1  0.503693  0.543743  0.557370  1
  Ta  Ta86  1  0.503693  0.908571  0.513324  1
  Ta  Ta87  1  0.503693  0.273064  0.460790  1
  Ta  Ta88  1  0.503693  0.436492  0.489667  1
  Ta  Ta89  1  0.503693  0.801138  0.446766  1
  Ta  Ta90  1  0.503693  0.071751  0.541296  1
  Ta  Ta91  1  0.003693  0.463508  0.468972  1
  Ta  Ta92  1  0.003693  0.733854  0.567942  1
  Ta  Ta93  1  0.003693  0.098981  0.519976  1
  Ta  Ta94  1  0.003693  0.610845  0.435224  1
  Ta  Ta95  1  0.003693  0.881412  0.534034  1
  Ta  Ta96  1  0.003693  0.245748  0.481946  1
  Ta  Ta97  1  0.503693  0.421734  0.428940  1
  Ta  Ta98  1  0.503693  0.692088  0.527976  1
  Ta  Ta99  1  0.503693  0.056876  0.480736  1
  Ta  Ta100  1  0.503693  0.652475  0.475468  1
  Ta  Ta101  1  0.503693  0.923340  0.573829  1
  Ta  Ta102  1  0.503693  0.287938  0.521301  1
  Ta  Ta103  1  0.003693  0.686271  0.473144  1
  Ta  Ta104  1  0.003693  0.957215  0.570940  1
  Ta  Ta105  1  0.003693  0.321596  0.517984  1
  Ta  Ta106  1  0.003693  0.387791  0.431601  1
  Ta  Ta107  1  0.003693  0.658321  0.530055  1
  Ta  Ta108  1  0.003693  0.023370  0.484367  1
  Ta  Ta109  1  0.503693  0.511935  0.497351  1
  Ta  Ta110  1  0.503693  0.876477  0.454466  1
  Ta  Ta111  1  0.503693  0.147402  0.546674  1
  Ta  Ta112  1  0.503693  0.468657  0.549067  1
  Ta  Ta113  1  0.503693  0.832962  0.505952  1
  Ta  Ta114  1  0.503693  0.197288  0.455177  1
  Ta  Ta115  1  0.003693  0.450415  0.527542  1
  Ta  Ta116  1  0.003693  0.814573  0.484429  1
  Ta  Ta117  1  0.003693  0.177565  0.434085  1
  Ta  Ta118  1  0.003693  0.529952  0.519232  1
  Ta  Ta119  1  0.003693  0.894484  0.475602  1
  Ta  Ta120  1  0.003693  0.166991  0.567731  1
  Ta  Ta121  1  0.503693  0.496882  0.441929  1
  Ta  Ta122  1  0.503693  0.767434  0.541232  1
  Ta  Ta123  1  0.503693  0.131942  0.492004  1
  Ta  Ta124  1  0.503693  0.577309  0.461898  1
  Ta  Ta125  1  0.503693  0.847992  0.561166  1
  Ta  Ta126  1  0.503693  0.212812  0.509824  1
  Ta  Ta127  1  0.003693  0.389621  0.492346  1
  Ta  Ta128  1  0.003693  0.754202  0.448698  1
  Ta  Ta129  1  0.003693  0.025115  0.544868  1
  Ta  Ta130  1  0.003693  0.590467  0.554463  1
  Ta  Ta131  1  0.003693  0.955384  0.510263  1
  Ta  Ta132  1  0.003693  0.319809  0.457499  1
  Ta  Ta133  1  0.503693  0.265081  0.619210  1
  Ta  Ta134  1  0.503693  0.624829  0.573035  1
  Ta  Ta135  1  0.503693  0.899091  0.671498  1
  Ta  Ta136  1  0.003693  0.443726  0.593622  1
  Ta  Ta137  1  0.003693  0.710481  0.687037  1
  Ta  Ta138  1  0.003693  0.081643  0.642809  1
  Ta  Ta139  1  0.503693  0.291176  0.674150  1
  Ta  Ta140  1  0.503693  0.652104  0.627220  1
  Ta  Ta141  1  0.503693  0.017381  0.580712  1
  Ta  Ta142  1  0.503693  0.505495  0.665634  1
  Ta  Ta143  1  0.503693  0.870693  0.618564  1
  Ta  Ta144  1  0.503693  0.137914  0.709652  1
  Ta  Ta145  1  0.003693  0.501414  0.634587  1
  Ta  Ta146  1  0.003693  0.874534  0.589814  1
  Ta  Ta147  1  0.003693  0.161516  0.682146  1
  Ta  Ta148  1  0.003693  0.308113  0.701718  1
  Ta  Ta149  1  0.003693  0.645896  0.654173  1
  Ta  Ta150  1  0.003693  0.012104  0.609493  1
  Ta  Ta151  1  0.503693  0.449563  0.701386  1
  Ta  Ta152  1  0.503693  0.811251  0.652041  1
  Ta  Ta153  1  0.503693  0.180324  0.603753  1
  Ta  Ta154  1  0.503693  0.345954  0.632551  1
  Ta  Ta155  1  0.503693  0.706018  0.588226  1
  Ta  Ta156  1  0.503693  0.977605  0.685072  1
  Ta  Ta157  1  0.003693  0.371673  0.611222  1
  Ta  Ta158  1  0.003693  0.626174  0.705201  1
  Ta  Ta159  1  0.003693  0.008398  0.665645  1
  Ta  Ta160  1  0.003693  0.517461  0.578290  1
  Ta  Ta161  1  0.003693  0.785384  0.678221  1
  Ta  Ta162  1  0.003693  0.153801  0.626473  1
  Ta  Ta163  1  0.503693  0.328701  0.572572  1
  Ta  Ta164  1  0.503693  0.597425  0.668651  1
  Ta  Ta165  1  0.503693  0.963953  0.625490  1
  Ta  Ta166  1  0.503693  0.556965  0.618728  1
  Ta  Ta167  1  0.503693  0.831051  0.704267  1
  Ta  Ta168  1  0.503693  0.200582  0.657758  1
  Ta  Ta169  1  0.003693  0.590986  0.614236  1
  Ta  Ta170  1  0.003693  0.865631  0.712594  1
  Ta  Ta171  1  0.003693  0.238520  0.665819  1
  Ta  Ta172  1  0.003693  0.294197  0.576179  1
  Ta  Ta173  1  0.003693  0.561720  0.667933  1
  Ta  Ta174  1  0.003693  0.929217  0.629144  1
  Ta  Ta175  1  0.503693  0.424027  0.641119  1
  Ta  Ta176  1  0.503693  0.781078  0.596067  1
  Ta  Ta177  1  0.503693  0.056117  0.690287  1
  Ta  Ta178  1  0.503693  0.372024  0.691343  1
  Ta  Ta179  1  0.503693  0.735567  0.648815  1
  Ta  Ta180  1  0.503693  0.105056  0.599938  1
  Ta  Ta181  1  0.003693  0.363220  0.666780  1
  Ta  Ta182  1  0.003693  0.720914  0.625468  1
  Ta  Ta183  1  0.003693  0.086274  0.578757  1
  Ta  Ta184  1  0.003693  0.437948  0.666980  1
  Ta  Ta185  1  0.003693  0.800752  0.617756  1
  Ta  Ta186  1  0.003693  0.090381  0.700076  1
  Ta  Ta187  1  0.503693  0.403864  0.585731  1
  Ta  Ta188  1  0.503693  0.669844  0.688179  1
  Ta  Ta189  1  0.503693  0.039957  0.636931  1
  Ta  Ta190  1  0.503693  0.484314  0.604442  1
  Ta  Ta191  1  0.503693  0.751721  0.703143  1
  Ta  Ta192  1  0.503693  0.121845  0.656932  1
  Ta  Ta193  1  0.003693  0.300103  0.636304  1
  Ta  Ta194  1  0.003693  0.659627  0.590680  1
  Ta  Ta195  1  0.003693  0.934574  0.689305  1
  Ta  Ta196  1  0.003693  0.496715  0.700280  1
  Ta  Ta197  1  0.003693  0.859897  0.656807  1
  Ta  Ta198  1  0.003693  0.226880  0.606153  1
