# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.56725023
_cell_length_b   9.15143246
_cell_length_c   48.60814213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.94293536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta110
_cell_volume   4700.67122999
_cell_formula_units_Z   110
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  1.012713  0.060081  0.295929  1
  Ta  Ta2  1  0.538514  0.559913  0.295928  1
  Ta  Ta3  1  0.347671  0.372713  0.368245  1
  Ta  Ta4  1  0.766972  -0.007303  0.297488  1
  Ta  Ta5  1  0.342301  0.387225  0.313205  1
  Ta  Ta6  1  0.683670  0.022117  0.350068  1
  Ta  Ta7  1  0.867945  0.522276  0.350044  1
  Ta  Ta8  1  0.209010  0.887192  0.313201  1
  Ta  Ta9  1  0.784368  0.492735  0.297461  1
  Ta  Ta10  1  0.203776  0.872706  0.368242  1
  Ta  Ta11  1  0.509840  0.912941  0.306064  1
  Ta  Ta12  1  0.599382  0.496873  0.353455  1
  Ta  Ta13  1  0.389898  0.060198  0.346840  1
  Ta  Ta14  1  0.578636  0.252696  0.322139  1
  Ta  Ta15  1  0.972594  0.752940  0.322149  1
  Ta  Ta16  1  0.161492  0.560249  0.346811  1
  Ta  Ta17  1  0.952265  -0.002867  0.353478  1
  Ta  Ta18  1  0.041393  0.412972  0.306069  1
  Ta  Ta19  1  0.702851  0.742398  0.325401  1
  Ta  Ta20  1  0.389754  0.687527  0.334105  1
  Ta  Ta21  1  0.161621  0.187554  0.334081  1
  Ta  Ta22  1  0.848321  0.242556  0.325416  1
  Ta  Ta23  1  1.026579  0.325646  0.373620  1
  Ta  Ta24  1  0.524931  0.825525  0.373599  1
  Ta  Ta25  1  0.354592  0.643289  0.451363  1
  Ta  Ta26  1  0.773618  0.262786  0.380200  1
  Ta  Ta27  1  0.345496  0.642283  0.394069  1
  Ta  Ta28  1  0.698786  0.282190  0.438034  1
  Ta  Ta29  1  0.853165  0.782281  0.438019  1
  Ta  Ta30  1  0.206135  0.142254  0.394064  1
  Ta  Ta31  1  0.777918  0.762810  0.380183  1
  Ta  Ta32  1  0.197278  0.143282  0.451358  1
  Ta  Ta33  1  0.524115  0.188867  0.389172  1
  Ta  Ta34  1  0.586110  0.767798  0.433760  1
  Ta  Ta35  1  0.388610  0.323517  0.431424  1
  Ta  Ta36  1  0.576416  0.506694  0.409375  1
  Ta  Ta37  1  0.975116  0.006949  0.409396  1
  Ta  Ta38  1  0.163174  0.823535  0.431402  1
  Ta  Ta39  1  0.965789  0.268045  0.433778  1
  Ta  Ta40  1  0.027457  0.688985  0.389186  1
  Ta  Ta41  1  0.712143  0.010703  0.409787  1
  Ta  Ta42  1  0.389318  0.958220  0.415100  1
  Ta  Ta43  1  0.162422  0.458250  0.415074  1
  Ta  Ta44  1  0.839423  0.510803  0.409769  1
  Ta  Ta45  1  1.026782  0.589084  0.456589  1
  Ta  Ta46  1  0.525151  0.089024  0.456568  1
  Ta  Ta47  1  0.280690  0.926633  0.532779  1
  Ta  Ta48  1  0.771323  0.525571  0.466073  1
  Ta  Ta49  1  0.340674  0.915677  0.476695  1
  Ta  Ta50  1  0.711342  0.534950  0.522174  1
  Ta  Ta51  1  0.840814  0.034922  0.522168  1
  Ta  Ta52  1  0.211401  0.415665  0.476692  1
  Ta  Ta53  1  0.780491  0.025486  0.466098  1
  Ta  Ta54  1  0.271803  0.426696  0.532744  1
  Ta  Ta55  1  0.519188  0.453149  0.475956  1
  Ta  Ta56  1  0.532942  -0.002438  0.522939  1
  Ta  Ta57  1  0.423393  0.659563  0.511463  1
  Ta  Ta58  1  0.629074  0.791778  0.487380  1
  Ta  Ta59  1  0.922945  0.291894  0.487397  1
  Ta  Ta60  1  0.128850  0.159392  0.511421  1
  Ta  Ta61  1  1.019427  0.497421  0.522928  1
  Ta  Ta62  1  0.032698  0.953210  0.475938  1
  Ta  Ta63  1  0.669337  0.239311  0.500767  1
  Ta  Ta64  1  0.382652  0.211452  0.498176  1
  Ta  Ta65  1  0.169522  0.711551  0.498165  1
  Ta  Ta66  1  0.882762  0.739181  0.500767  1
  Ta  Ta67  1  1.025561  0.860933  0.542317  1
  Ta  Ta68  1  0.526766  0.361020  0.542362  1
  Ta  Ta69  1  0.274014  0.193031  0.619026  1
  Ta  Ta70  1  0.698472  0.807334  0.547514  1
  Ta  Ta71  1  0.350099  0.171585  0.561191  1
  Ta  Ta72  1  0.706539  0.805292  0.604838  1
  Ta  Ta73  1  0.846225  0.305316  0.604833  1
  Ta  Ta74  1  0.201987  0.671259  0.561172  1
  Ta  Ta75  1  0.853932  0.307346  0.547504  1
  Ta  Ta76  1  0.278824  0.693020  0.619037  1
  Ta  Ta77  1  0.468709  0.681874  0.564995  1
  Ta  Ta78  1  0.525739  0.260525  0.609731  1
  Ta  Ta79  1  0.472801  0.943532  0.588866  1
  Ta  Ta80  1  0.662757  0.126242  0.567564  1
  Ta  Ta81  1  0.889814  0.626097  0.567579  1
  Ta  Ta82  1  0.080197  0.442870  0.588802  1
  Ta  Ta83  1  1.027101  0.760378  0.609685  1
  Ta  Ta84  1  0.083479  0.181228  0.564946  1
  Ta  Ta85  1  0.663412  0.490741  0.583888  1
  Ta  Ta86  1  0.342366  0.443260  0.589143  1
  Ta  Ta87  1  0.210614  0.942954  0.589135  1
  Ta  Ta88  1  0.889140  -0.009400  0.583906  1
  Ta  Ta89  1  1.021977  0.120286  0.626472  1
  Ta  Ta90  1  0.530941  0.620527  0.626516  1
  Ta  Ta91  1  0.267475  0.471283  0.699457  1
  Ta  Ta92  1  0.705243  0.075851  0.630183  1
  Ta  Ta93  1  0.350797  0.441708  0.648795  1
  Ta  Ta94  1  0.705542  0.057340  0.684064  1
  Ta  Ta95  1  0.847629  0.557188  0.684053  1
  Ta  Ta96  1  0.202287  0.941711  0.648801  1
  Ta  Ta97  1  0.847760  0.575863  0.630170  1
  Ta  Ta98  1  0.285561  0.971246  0.699474  1
  Ta  Ta99  1  0.468619  0.944494  0.644017  1
  Ta  Ta100  1  0.535217  0.506570  0.691651  1
  Ta  Ta101  1  0.453775  0.196329  0.673181  1
  Ta  Ta102  1  0.666614  0.381886  0.651659  1
  Ta  Ta103  1  0.886491  0.881780  0.651682  1
  Ta  Ta104  1  0.099387  0.696250  0.673145  1
  Ta  Ta105  1  1.017954  0.006650  0.691633  1
  Ta  Ta106  1  0.084401  0.444424  0.643962  1
  Ta  Ta107  1  0.660563  0.755618  0.668056  1
  Ta  Ta108  1  0.370355  0.719356  0.675937  1
  Ta  Ta109  1  0.182741  0.219397  0.675931  1
  Ta  Ta110  1  0.892561  0.255580  0.668040  1
