# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29911639
_cell_length_b   22.57088244
_cell_length_c   54.26206663
_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   6490.05426322
_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  0.502999  0.640189  0.316979  1
  Ta  Ta2  1  0.502999  0.039766  0.399738  1
  Ta  Ta3  1  0.002999  0.006035  0.303927  1
  Ta  Ta4  1  0.002999  0.408212  0.385067  1
  Ta  Ta5  1  0.257465  0.036462  0.262249  1
  Ta  Ta6  1  0.252284  0.435337  0.337556  1
  Ta  Ta7  1  0.002999  0.954920  0.401763  1
  Ta  Ta8  1  0.002999  0.555256  0.318800  1
  Ta  Ta9  1  0.002999  0.645113  0.351752  1
  Ta  Ta10  1  0.002999  0.237691  0.271657  1
  Ta  Ta11  1  0.502999  0.717496  0.278871  1
  Ta  Ta12  1  0.502999  0.120858  0.360872  1
  Ta  Ta13  1  0.253450  0.609186  0.403311  1
  Ta  Ta14  1  0.253567  0.209933  0.318951  1
  Ta  Ta15  1  0.752438  0.989598  0.350294  1
  Ta  Ta16  1  0.753414  0.592168  0.272243  1
  Ta  Ta17  1  0.002999  0.791371  0.282130  1
  Ta  Ta18  1  0.002999  0.191439  0.367408  1
  Ta  Ta19  1  0.002999  0.677420  0.300681  1
  Ta  Ta20  1  0.002999  0.074134  0.383922  1
  Ta  Ta21  1  0.002999  0.861950  0.367620  1
  Ta  Ta22  1  0.002999  0.467607  0.284728  1
  Ta  Ta23  1  0.502999  0.799957  0.376367  1
  Ta  Ta24  1  0.502999  0.400078  0.290315  1
  Ta  Ta25  1  0.002999  0.917052  0.269419  1
  Ta  Ta26  1  0.002999  0.311887  0.351334  1
  Ta  Ta27  1  0.502999  0.721344  0.414861  1
  Ta  Ta28  1  0.502999  0.321729  0.329047  1
  Ta  Ta29  1  0.502999  0.160150  0.271742  1
  Ta  Ta30  1  0.502999  0.559566  0.353798  1
  Ta  Ta31  1  0.002999  0.737793  0.385335  1
  Ta  Ta32  1  0.002999  0.337340  0.301946  1
  Ta  Ta33  1  0.748532  0.036462  0.262249  1
  Ta  Ta34  1  0.753714  0.435337  0.337556  1
  Ta  Ta35  1  0.753266  0.764029  0.330050  1
  Ta  Ta36  1  0.753449  0.163683  0.414254  1
  Ta  Ta37  1  0.002999  0.100188  0.334335  1
  Ta  Ta38  1  0.002999  0.692296  0.251538  1
  Ta  Ta39  1  0.752548  0.609186  0.403311  1
  Ta  Ta40  1  0.752431  0.209933  0.318951  1
  Ta  Ta41  1  0.252732  0.764029  0.330050  1
  Ta  Ta42  1  0.252548  0.163683  0.414254  1
  Ta  Ta43  1  0.502999  0.878350  0.337792  1
  Ta  Ta44  1  0.502999  0.489157  0.255800  1
  Ta  Ta45  1  0.253559  0.989598  0.350294  1
  Ta  Ta46  1  0.252583  0.592168  0.272243  1
  Ta  Ta47  1  0.502999  0.682170  0.366008  1
  Ta  Ta48  1  0.502999  0.279871  0.281381  1
  Ta  Ta49  1  0.502999  0.957434  0.297900  1
  Ta  Ta50  1  0.502999  0.358643  0.380749  1
  Ta  Ta51  1  0.002999  0.125426  0.285750  1
  Ta  Ta52  1  0.002999  0.525217  0.369103  1
  Ta  Ta53  1  0.502999  0.840658  0.288777  1
  Ta  Ta54  1  0.502999  0.241617  0.371004  1
  Ta  Ta55  1  0.002999  0.885871  0.316714  1
  Ta  Ta56  1  0.002999  0.288155  0.400611  1
  Ta  Ta57  1  0.502999  0.917590  0.387265  1
  Ta  Ta58  1  0.502999  0.515469  0.304466  1
  Ta  Ta59  1  0.502999  0.078647  0.309577  1
  Ta  Ta60  1  0.502999  0.478568  0.392175  1
  Ta  Ta61  1  0.502999  0.439725  0.483388  1
  Ta  Ta62  1  0.502999  0.839851  0.567091  1
  Ta  Ta63  1  0.002999  0.808417  0.469166  1
  Ta  Ta64  1  0.002999  0.208744  0.552800  1
  Ta  Ta65  1  0.252541  0.836377  0.422334  1
  Ta  Ta66  1  0.252529  0.236588  0.505936  1
  Ta  Ta67  1  0.002999  0.755062  0.569190  1
  Ta  Ta68  1  0.002999  0.355106  0.485377  1
  Ta  Ta69  1  0.002999  0.444693  0.518790  1
  Ta  Ta70  1  0.002999  0.044787  0.434986  1
  Ta  Ta71  1  0.502999  0.520394  0.444483  1
  Ta  Ta72  1  0.502999  0.920688  0.528191  1
  Ta  Ta73  1  0.253466  0.409525  0.570748  1
  Ta  Ta74  1  0.253449  0.009481  0.486795  1
  Ta  Ta75  1  0.752548  0.790373  0.517394  1
  Ta  Ta76  1  0.752527  0.390279  0.433409  1
  Ta  Ta77  1  0.002999  0.591050  0.451386  1
  Ta  Ta78  1  0.002999  0.991441  0.535031  1
  Ta  Ta79  1  0.002999  0.473668  0.467626  1
  Ta  Ta80  1  0.002999  0.873981  0.551372  1
  Ta  Ta81  1  0.002999  0.662111  0.535314  1
  Ta  Ta82  1  0.002999  0.262510  0.451244  1
  Ta  Ta83  1  0.502999  0.599687  0.544136  1
  Ta  Ta84  1  0.502999  0.200139  0.460035  1
  Ta  Ta85  1  0.002999  0.711740  0.435776  1
  Ta  Ta86  1  0.002999  0.112009  0.519326  1
  Ta  Ta87  1  0.502999  0.520955  0.582551  1
  Ta  Ta88  1  0.502999  0.121391  0.498391  1
  Ta  Ta89  1  0.502999  0.960008  0.437093  1
  Ta  Ta90  1  0.502999  0.360075  0.520779  1
  Ta  Ta91  1  0.002999  0.537308  0.552918  1
  Ta  Ta92  1  0.002999  0.137721  0.468867  1
  Ta  Ta93  1  0.753456  0.836377  0.422334  1
  Ta  Ta94  1  0.753468  0.236588  0.505936  1
  Ta  Ta95  1  0.753468  0.563224  0.498240  1
  Ta  Ta96  1  0.753459  0.963504  0.581865  1
  Ta  Ta97  1  0.002999  0.899933  0.502096  1
  Ta  Ta98  1  0.002999  0.499473  0.418315  1
  Ta  Ta99  1  0.752532  0.409525  0.570748  1
  Ta  Ta100  1  0.752548  0.009481  0.486795  1
  Ta  Ta101  1  0.252529  0.563224  0.498240  1
  Ta  Ta102  1  0.252538  0.963504  0.581865  1
  Ta  Ta103  1  0.502999  0.678448  0.505795  1
  Ta  Ta104  1  0.502999  0.278867  0.421607  1
  Ta  Ta105  1  0.253449  0.790373  0.517394  1
  Ta  Ta106  1  0.253470  0.390279  0.433409  1
  Ta  Ta107  1  0.502999  0.481767  0.533350  1
  Ta  Ta108  1  0.502999  0.082074  0.449382  1
  Ta  Ta109  1  0.502999  0.758552  0.465279  1
  Ta  Ta110  1  0.502999  0.158803  0.548839  1
  Ta  Ta111  1  0.002999  0.925884  0.452817  1
  Ta  Ta112  1  0.002999  0.326121  0.536548  1
  Ta  Ta113  1  0.502999  0.641019  0.455360  1
  Ta  Ta114  1  0.502999  0.041297  0.538923  1
  Ta  Ta115  1  0.002999  0.687819  0.484870  1
  Ta  Ta116  1  0.002999  0.088100  0.568441  1
  Ta  Ta117  1  0.502999  0.717763  0.554799  1
  Ta  Ta118  1  0.502999  0.318049  0.470813  1
  Ta  Ta119  1  0.502999  0.879176  0.476002  1
  Ta  Ta120  1  0.502999  0.279406  0.559692  1
  Ta  Ta121  1  0.502999  0.240242  0.650322  1
  Ta  Ta122  1  0.502999  0.639604  0.732420  1
  Ta  Ta123  1  0.002999  0.608373  0.636749  1
  Ta  Ta124  1  0.002999  0.007921  0.721642  1
  Ta  Ta125  1  0.252549  0.636148  0.589912  1
  Ta  Ta126  1  0.252476  0.036041  0.674149  1
  Ta  Ta127  1  0.002999  0.562075  0.732502  1
  Ta  Ta128  1  0.002999  0.154477  0.652698  1
  Ta  Ta129  1  0.002999  0.244283  0.685394  1
  Ta  Ta130  1  0.002999  0.844927  0.602413  1
  Ta  Ta131  1  0.502999  0.321242  0.611964  1
  Ta  Ta132  1  0.502999  0.721119  0.694586  1
  Ta  Ta133  1  0.253455  0.208103  0.731086  1
  Ta  Ta134  1  0.253569  0.810204  0.653864  1
  Ta  Ta135  1  0.752427  0.589851  0.685212  1
  Ta  Ta136  1  0.752576  0.190586  0.600906  1
  Ta  Ta137  1  0.002999  0.391587  0.619075  1
  Ta  Ta138  1  0.002999  0.793703  0.700238  1
  Ta  Ta139  1  0.002999  0.274511  0.635091  1
  Ta  Ta140  1  0.002999  0.674348  0.718416  1
  Ta  Ta141  1  0.002999  0.462444  0.702200  1
  Ta  Ta142  1  0.002999  0.062154  0.618926  1
  Ta  Ta143  1  0.502999  0.399581  0.713832  1
  Ta  Ta144  1  0.502999  0.999912  0.627823  1
  Ta  Ta145  1  0.002999  0.511669  0.603540  1
  Ta  Ta146  1  0.002999  0.913817  0.687379  1
  Ta  Ta147  1  0.502999  0.310170  0.748153  1
  Ta  Ta148  1  0.502999  0.921627  0.666410  1
  Ta  Ta149  1  0.502999  0.760078  0.604436  1
  Ta  Ta150  1  0.502999  0.160213  0.687016  1
  Ta  Ta151  1  0.002999  0.332094  0.719315  1
  Ta  Ta152  1  0.002999  0.937922  0.636543  1
  Ta  Ta153  1  0.753448  0.636148  0.589912  1
  Ta  Ta154  1  0.753521  0.036041  0.674149  1
  Ta  Ta155  1  0.753761  0.364561  0.666532  1
  Ta  Ta156  1  0.748530  0.763320  0.741916  1
  Ta  Ta157  1  0.002999  0.699586  0.669827  1
  Ta  Ta158  1  0.002999  0.300289  0.585863  1
  Ta  Ta159  1  0.752542  0.208103  0.731086  1
  Ta  Ta160  1  0.752428  0.810204  0.653864  1
  Ta  Ta161  1  0.252237  0.364561  0.666532  1
  Ta  Ta162  1  0.257467  0.763320  0.741916  1
  Ta  Ta163  1  0.502999  0.478082  0.675115  1
  Ta  Ta164  1  0.502999  0.078550  0.589366  1
  Ta  Ta165  1  0.253570  0.589851  0.685212  1
  Ta  Ta166  1  0.253422  0.190586  0.600906  1
  Ta  Ta167  1  0.502999  0.284519  0.699386  1
  Ta  Ta168  1  0.502999  0.882282  0.616919  1
  Ta  Ta169  1  0.502999  0.558207  0.633154  1
  Ta  Ta170  1  0.502999  0.958929  0.715286  1
  Ta  Ta171  1  0.002999  0.725686  0.620244  1
  Ta  Ta172  1  0.002999  0.121619  0.704652  1
  Ta  Ta173  1  0.502999  0.441194  0.623388  1
  Ta  Ta174  1  0.502999  0.842312  0.706247  1
  Ta  Ta175  1  0.002999  0.487949  0.652813  1
  Ta  Ta176  1  0.002999  0.882772  0.734697  1
  Ta  Ta177  1  0.502999  0.519851  0.722782  1
  Ta  Ta178  1  0.502999  0.117633  0.638296  1
  Ta  Ta179  1  0.502999  0.678951  0.643291  1
  Ta  Ta180  1  0.502999  0.081069  0.723141  1
