# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65852927
_cell_length_b   32.11876238
_cell_length_c   55.04941491
_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   8236.83446998
_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  1.014562  0.148404  0.310620  1
  Ta  Ta2  1  1.014562  0.485485  0.362346  1
  Ta  Ta3  1  1.014562  0.873221  0.251974  1
  Ta  Ta4  1  0.514562  0.961109  0.360612  1
  Ta  Ta5  1  0.514562  0.356790  0.269228  1
  Ta  Ta6  1  0.514562  0.666788  0.299587  1
  Ta  Ta7  1  1.014562  0.040857  0.305378  1
  Ta  Ta8  1  1.014562  0.364742  0.348999  1
  Ta  Ta9  1  1.014562  0.681375  0.389076  1
  Ta  Ta10  1  1.014562  0.972002  0.271161  1
  Ta  Ta11  1  1.014562  0.237293  0.303783  1
  Ta  Ta12  1  1.014562  0.574887  0.358736  1
  Ta  Ta13  1  0.514562  0.034716  0.334902  1
  Ta  Ta14  1  0.514562  0.353805  0.375883  1
  Ta  Ta15  1  0.514562  0.742618  0.273151  1
  Ta  Ta16  1  0.514562  0.895074  0.387551  1
  Ta  Ta17  1  0.514562  0.275115  0.286577  1
  Ta  Ta18  1  0.514562  0.597518  0.331292  1
  Ta  Ta19  1  1.014562  0.194754  0.351891  1
  Ta  Ta20  1  1.014562  0.514685  0.405653  1
  Ta  Ta21  1  1.014562  0.895330  0.297861  1
  Ta  Ta22  1  1.014562  0.101759  0.269450  1
  Ta  Ta23  1  1.014562  0.439284  0.322820  1
  Ta  Ta24  1  1.014562  0.752906  0.356759  1
  Ta  Ta25  1  0.514562  0.885216  0.328673  1
  Ta  Ta26  1  0.514562  0.209951  0.377767  1
  Ta  Ta27  1  0.514562  0.559092  0.287275  1
  Ta  Ta28  1  0.514562  0.065602  0.383377  1
  Ta  Ta29  1  0.514562  0.457728  0.294609  1
  Ta  Ta30  1  0.514562  0.775370  0.318876  1
  Ta  Ta31  1  1.014562  0.945737  0.401197  1
  Ta  Ta32  1  1.014562  0.322626  0.307179  1
  Ta  Ta33  1  1.014562  0.655597  0.340509  1
  Ta  Ta34  1  1.014562  0.962240  0.328509  1
  Ta  Ta35  1  1.014562  0.280325  0.363519  1
  Ta  Ta36  1  1.014562  0.690593  0.266003  1
  Ta  Ta37  1  0.514562  0.032906  0.273375  1
  Ta  Ta38  1  0.514562  0.372386  0.316619  1
  Ta  Ta39  1  0.514562  0.702384  0.347618  1
  Ta  Ta40  1  0.514562  0.966440  0.304099  1
  Ta  Ta41  1  0.514562  0.285833  0.337732  1
  Ta  Ta42  1  0.514562  0.632786  0.378521  1
  Ta  Ta43  1  1.014562  0.141018  0.393720  1
  Ta  Ta44  1  1.014562  0.527399  0.310683  1
  Ta  Ta45  1  1.014562  0.822902  0.325131  1
  Ta  Ta46  1  1.014562  0.089947  0.348802  1
  Ta  Ta47  1  1.014562  0.412653  0.392308  1
  Ta  Ta48  1  1.014562  0.791435  0.278425  1
  Ta  Ta49  1  0.514562  0.176068  0.277457  1
  Ta  Ta50  1  0.514562  0.510335  0.335808  1
  Ta  Ta51  1  0.514562  0.814817  0.367295  1
  Ta  Ta52  1  0.514562  0.134811  0.354205  1
  Ta  Ta53  1  0.514562  0.459707  0.400088  1
  Ta  Ta54  1  0.514562  0.840055  0.283833  1
  Ta  Ta55  1  1.014562  0.891711  0.357831  1
  Ta  Ta56  1  1.014562  0.305107  0.260134  1
  Ta  Ta57  1  1.014562  0.614342  0.297960  1
  Ta  Ta58  1  1.014562  1.010688  0.368231  1
  Ta  Ta59  1  1.014562  0.396459  0.282029  1
  Ta  Ta60  1  1.014562  0.722750  0.309844  1
  Ta  Ta61  1  0.514562  0.102791  0.305493  1
  Ta  Ta62  1  0.514562  0.429847  0.353339  1
  Ta  Ta63  1  0.514562  0.732510  0.395988  1
  Ta  Ta64  1  0.514562  0.201933  0.323249  1
  Ta  Ta65  1  0.514562  0.546037  0.382398  1
  Ta  Ta66  1  0.514562  0.921368  0.264831  1
  Ta  Ta67  1  1.014562  0.093147  0.452379  1
  Ta  Ta68  1  1.014562  0.406396  0.499780  1
  Ta  Ta69  1  1.014562  0.776563  0.404628  1
  Ta  Ta70  1  0.514562  0.905283  0.501965  1
  Ta  Ta71  1  0.514562  0.284351  0.403041  1
  Ta  Ta72  1  0.514562  0.597890  0.457551  1
  Ta  Ta73  1  1.014562  0.986594  0.445762  1
  Ta  Ta74  1  1.014562  0.303741  0.491692  1
  Ta  Ta75  1  1.014562  0.615175  0.544339  1
  Ta  Ta76  1  1.014562  0.863391  0.407807  1
  Ta  Ta77  1  1.014562  0.179141  0.449867  1
  Ta  Ta78  1  1.014562  0.490692  0.498812  1
  Ta  Ta79  1  0.514562  0.975141  0.474278  1
  Ta  Ta80  1  0.514562  0.292773  0.519741  1
  Ta  Ta81  1  0.514562  0.663818  0.426978  1
  Ta  Ta82  1  0.514562  0.840613  0.532280  1
  Ta  Ta83  1  0.514562  0.214012  0.431178  1
  Ta  Ta84  1  0.514562  0.528039  0.484294  1
  Ta  Ta85  1  1.014562  0.126148  0.496334  1
  Ta  Ta86  1  1.014562  0.448552  0.545066  1
  Ta  Ta87  1  1.014562  0.816093  0.449487  1
  Ta  Ta88  1  1.014562  0.053453  0.410261  1
  Ta  Ta89  1  1.014562  0.369148  0.454810  1
  Ta  Ta90  1  1.014562  0.679536  0.508858  1
  Ta  Ta91  1  0.514562  0.830789  0.475550  1
  Ta  Ta92  1  0.514562  0.144932  0.521255  1
  Ta  Ta93  1  0.514562  0.521811  0.432913  1
  Ta  Ta94  1  0.514562  1.002128  0.525626  1
  Ta  Ta95  1  0.514562  0.384404  0.425471  1
  Ta  Ta96  1  0.514562  0.690619  0.478154  1
  Ta  Ta97  1  1.014562  0.887797  0.545362  1
  Ta  Ta98  1  1.014562  0.265773  0.447393  1
  Ta  Ta99  1  1.014562  0.575582  0.501591  1
  Ta  Ta100  1  1.014562  0.902846  0.463911  1
  Ta  Ta101  1  1.014562  0.213855  0.504213  1
  Ta  Ta102  1  1.014562  0.600194  0.414621  1
  Ta  Ta103  1  0.514562  0.989683  0.410119  1
  Ta  Ta104  1  0.514562  0.310062  0.452997  1
  Ta  Ta105  1  0.514562  0.618717  0.508099  1
  Ta  Ta106  1  0.514562  0.909114  0.437493  1
  Ta  Ta107  1  0.514562  0.233583  0.480901  1
  Ta  Ta108  1  0.514562  0.536215  0.534524  1
  Ta  Ta109  1  1.014562  0.076560  0.537695  1
  Ta  Ta110  1  1.014562  0.454196  0.440789  1
  Ta  Ta111  1  1.014562  0.757616  0.486380  1
  Ta  Ta112  1  1.014562  0.028414  0.490623  1
  Ta  Ta113  1  1.014562  0.346943  0.537216  1
  Ta  Ta114  1  1.014562  0.712818  0.439078  1
  Ta  Ta115  1  0.514562  0.128785  0.419118  1
  Ta  Ta116  1  0.514562  0.441773  0.466391  1
  Ta  Ta117  1  0.514562  0.756051  0.514927  1
  Ta  Ta118  1  0.514562  0.071529  0.496771  1
  Ta  Ta119  1  0.514562  0.388634  0.544540  1
  Ta  Ta120  1  0.514562  0.756873  0.448261  1
  Ta  Ta121  1  1.014562  0.843845  0.501816  1
  Ta  Ta122  1  1.014562  0.227544  0.403482  1
  Ta  Ta123  1  1.014562  0.543180  0.455611  1
  Ta  Ta124  1  1.014562  0.948533  0.509210  1
  Ta  Ta125  1  1.014562  0.329425  0.409143  1
  Ta  Ta126  1  1.014562  0.639332  0.464885  1
  Ta  Ta127  1  0.514562  0.049395  0.446683  1
  Ta  Ta128  1  0.514562  0.363701  0.492616  1
  Ta  Ta129  1  0.514562  0.676848  0.544526  1
  Ta  Ta130  1  0.514562  0.146245  0.469601  1
  Ta  Ta131  1  0.514562  0.454124  0.516081  1
  Ta  Ta132  1  0.514562  0.822960  0.419369  1
  Ta  Ta133  1  1.014562  0.037770  0.595964  1
  Ta  Ta134  1  1.014562  0.338683  0.643616  1
  Ta  Ta135  1  1.014562  0.718906  0.552457  1
  Ta  Ta136  1  0.514562  0.848620  0.648994  1
  Ta  Ta137  1  0.514562  0.220277  0.543473  1
  Ta  Ta138  1  0.514562  0.532116  0.598569  1
  Ta  Ta139  1  1.014562  0.923689  0.590368  1
  Ta  Ta140  1  1.014562  0.239658  0.631482  1
  Ta  Ta141  1  1.014562  0.553823  0.682821  1
  Ta  Ta142  1  1.014562  0.801058  0.545456  1
  Ta  Ta143  1  1.014562  0.118886  0.594284  1
  Ta  Ta144  1  1.014562  0.424911  0.644631  1
  Ta  Ta145  1  0.514562  0.918221  0.618521  1
  Ta  Ta146  1  0.514562  0.214592  0.664244  1
  Ta  Ta147  1  0.514562  0.603093  0.571877  1
  Ta  Ta148  1  0.514562  0.784702  0.680913  1
  Ta  Ta149  1  0.514562  0.149804  0.573049  1
  Ta  Ta150  1  0.514562  0.459752  0.625599  1
  Ta  Ta151  1  1.014562  0.066885  0.645775  1
  Ta  Ta152  1  1.014562  0.363064  0.690247  1
  Ta  Ta153  1  1.014562  0.768269  0.595090  1
  Ta  Ta154  1  1.014562  0.990628  0.554605  1
  Ta  Ta155  1  1.014562  0.305924  0.597482  1
  Ta  Ta156  1  1.014562  0.623878  0.650890  1
  Ta  Ta157  1  0.514562  0.775319  0.623499  1
  Ta  Ta158  1  0.514562  0.114614  0.662803  1
  Ta  Ta159  1  0.514562  0.459416  0.571986  1
  Ta  Ta160  1  0.514562  0.932182  0.670463  1
  Ta  Ta161  1  0.514562  0.319836  0.569964  1
  Ta  Ta162  1  0.514562  0.632658  0.622194  1
  Ta  Ta163  1  1.014562  0.849480  0.680436  1
  Ta  Ta164  1  1.014562  0.203440  0.588014  1
  Ta  Ta165  1  1.014562  0.513603  0.640729  1
  Ta  Ta166  1  1.014562  0.844932  0.619013  1
  Ta  Ta167  1  1.014562  0.155432  0.644088  1
  Ta  Ta168  1  1.014562  0.532596  0.560620  1
  Ta  Ta169  1  0.514562  0.929356  0.554659  1
  Ta  Ta170  1  0.514562  0.246756  0.592053  1
  Ta  Ta171  1  0.514562  0.558554  0.646430  1
  Ta  Ta172  1  0.514562  0.848327  0.584057  1
  Ta  Ta173  1  0.514562  0.176311  0.620303  1
  Ta  Ta174  1  0.514562  0.483913  0.672500  1
  Ta  Ta175  1  1.014562  0.989053  0.676803  1
  Ta  Ta176  1  1.014562  0.391444  0.585311  1
  Ta  Ta177  1  1.014562  0.702028  0.628250  1
  Ta  Ta178  1  1.014562  0.978419  0.628086  1
  Ta  Ta179  1  1.014562  0.268884  0.675776  1
  Ta  Ta180  1  1.014562  0.656969  0.587352  1
  Ta  Ta181  1  0.514562  0.066147  0.563061  1
  Ta  Ta182  1  0.514562  0.376457  0.611435  1
  Ta  Ta183  1  0.514562  0.701701  0.655732  1
  Ta  Ta184  1  0.514562  1.013343  0.644200  1
  Ta  Ta185  1  0.514562  0.310248  0.682574  1
  Ta  Ta186  1  0.514562  0.703060  0.594913  1
  Ta  Ta187  1  1.014562  0.776257  0.652787  1
  Ta  Ta188  1  1.014562  0.163508  0.545654  1
  Ta  Ta189  1  1.014562  0.474531  0.598190  1
  Ta  Ta190  1  1.014562  0.909315  0.649093  1
  Ta  Ta191  1  1.014562  0.264850  0.550743  1
  Ta  Ta192  1  1.014562  0.578087  0.606408  1
  Ta  Ta193  1  0.514562  0.990840  0.590567  1
  Ta  Ta194  1  0.514562  0.292383  0.634918  1
  Ta  Ta195  1  0.514562  0.618109  0.680360  1
  Ta  Ta196  1  0.514562  0.086280  0.615682  1
  Ta  Ta197  1  0.514562  0.388050  0.662408  1
  Ta  Ta198  1  0.514562  0.767907  0.565339  1
