# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28777256
_cell_length_b   11.80650356
_cell_length_c   46.32517558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta120
_cell_volume   4672.77225473
_cell_formula_units_Z   120
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  0.371597  0.220814  0.309030  1
  Ta  Ta2  1  0.867646  0.228735  0.310125  1
  Ta  Ta3  1  0.435069  0.593552  0.295742  1
  Ta  Ta4  1  0.503969  0.955824  0.282786  1
  Ta  Ta5  1  0.935373  0.593518  0.295745  1
  Ta  Ta6  1  0.796716  0.859435  0.322240  1
  Ta  Ta7  1  0.184910  0.092682  0.295973  1
  Ta  Ta8  1  0.686264  0.092775  0.295973  1
  Ta  Ta9  1  0.253437  0.456928  0.282376  1
  Ta  Ta10  1  0.121270  0.721582  0.309588  1
  Ta  Ta11  1  0.752760  0.458226  0.282212  1
  Ta  Ta12  1  0.621592  0.720905  0.309171  1
  Ta  Ta13  1  0.163616  0.134086  0.352811  1
  Ta  Ta14  1  0.666345  0.134099  0.352812  1
  Ta  Ta15  1  0.233325  0.497376  0.338543  1
  Ta  Ta16  1  0.307966  0.859391  0.322250  1
  Ta  Ta17  1  0.733281  0.497474  0.338578  1
  Ta  Ta18  1  0.596836  0.770448  0.367824  1
  Ta  Ta19  1  0.984671  0.994710  0.335264  1
  Ta  Ta20  1  0.483005  0.998058  0.338773  1
  Ta  Ta21  1  0.052378  0.361358  0.320936  1
  Ta  Ta22  1  0.915244  0.634538  0.353022  1
  Ta  Ta23  1  0.550303  0.361374  0.320936  1
  Ta  Ta24  1  0.414307  0.634517  0.353024  1
  Ta  Ta25  1  0.960927  0.042349  0.397718  1
  Ta  Ta26  1  0.460616  0.042957  0.398691  1
  Ta  Ta27  1  0.029081  0.406025  0.382746  1
  Ta  Ta28  1  0.096053  0.772002  0.367443  1
  Ta  Ta29  1  0.529042  0.406021  0.382748  1
  Ta  Ta30  1  0.392043  0.679836  0.413877  1
  Ta  Ta31  1  0.779631  0.906671  0.382552  1
  Ta  Ta32  1  0.277856  0.906673  0.382556  1
  Ta  Ta33  1  0.847139  0.269835  0.367866  1
  Ta  Ta34  1  0.710672  0.542849  0.398721  1
  Ta  Ta35  1  0.347033  0.270028  0.367524  1
  Ta  Ta36  1  0.210479  0.543229  0.398598  1
  Ta  Ta37  1  0.756392  0.951833  0.444298  1
  Ta  Ta38  1  0.256123  0.951833  0.444299  1
  Ta  Ta39  1  0.824465  0.315367  0.429160  1
  Ta  Ta40  1  0.892366  0.679838  0.413876  1
  Ta  Ta41  1  0.324489  0.315311  0.429089  1
  Ta  Ta42  1  0.188084  0.588218  0.459694  1
  Ta  Ta43  1  0.574357  0.815589  0.429192  1
  Ta  Ta44  1  0.074077  0.816145  0.428916  1
  Ta  Ta45  1  0.643143  0.179180  0.413692  1
  Ta  Ta46  1  0.506214  0.451722  0.444378  1
  Ta  Ta47  1  0.141920  0.179181  0.413691  1
  Ta  Ta48  1  0.006402  0.451724  0.444377  1
  Ta  Ta49  1  0.551922  0.860644  0.490363  1
  Ta  Ta50  1  0.051895  0.860697  0.490250  1
  Ta  Ta51  1  0.620142  0.224314  0.474981  1
  Ta  Ta52  1  0.688185  0.588019  0.459764  1
  Ta  Ta53  1  0.119981  0.224315  0.474981  1
  Ta  Ta54  1  0.983898  0.496881  0.505636  1
  Ta  Ta55  1  0.369942  0.724472  0.475014  1
  Ta  Ta56  1  0.870024  0.724472  0.475013  1
  Ta  Ta57  1  0.438183  0.088027  0.459716  1
  Ta  Ta58  1  0.301957  0.360568  0.490342  1
  Ta  Ta59  1  0.938236  0.087920  0.459547  1
  Ta  Ta60  1  0.801934  0.360615  0.490344  1
  Ta  Ta61  1  0.347719  0.769352  0.536220  1
  Ta  Ta62  1  0.847556  0.769352  0.536219  1
  Ta  Ta63  1  0.415708  0.133167  0.520972  1
  Ta  Ta64  1  0.483751  0.496880  0.505637  1
  Ta  Ta65  1  0.915675  0.133232  0.520860  1
  Ta  Ta66  1  0.779367  0.405938  0.551613  1
  Ta  Ta67  1  0.165742  0.633095  0.520947  1
  Ta  Ta68  1  0.665756  0.633064  0.520940  1
  Ta  Ta69  1  0.233802  0.996932  0.505589  1
  Ta  Ta70  1  0.097589  0.269552  0.536273  1
  Ta  Ta71  1  0.733802  0.996932  0.505589  1
  Ta  Ta72  1  0.597488  0.269551  0.536273  1
  Ta  Ta73  1  0.143541  0.677688  0.582228  1
  Ta  Ta74  1  0.643538  0.677687  0.582154  1
  Ta  Ta75  1  0.211446  0.042096  0.566827  1
  Ta  Ta76  1  0.279471  0.405731  0.551695  1
  Ta  Ta77  1  0.711184  0.042096  0.566828  1
  Ta  Ta78  1  0.574765  0.314898  0.597510  1
  Ta  Ta79  1  0.961468  0.541961  0.566905  1
  Ta  Ta80  1  0.461287  0.541960  0.566906  1
  Ta  Ta81  1  0.029533  0.905611  0.551437  1
  Ta  Ta82  1  0.893079  0.178614  0.582001  1
  Ta  Ta83  1  0.529476  0.905725  0.551616  1
  Ta  Ta84  1  0.393371  0.178033  0.582275  1
  Ta  Ta85  1  0.939055  0.586837  0.628568  1
  Ta  Ta86  1  0.439013  0.586834  0.628571  1
  Ta  Ta87  1  0.007139  0.950602  0.612296  1
  Ta  Ta88  1  0.075161  0.314899  0.597509  1
  Ta  Ta89  1  0.506859  0.951150  0.613282  1
  Ta  Ta90  1  0.371083  0.222800  0.643517  1
  Ta  Ta91  1  0.756642  0.451580  0.613299  1
  Ta  Ta92  1  0.256838  0.451193  0.613489  1
  Ta  Ta93  1  0.824752  0.814131  0.597322  1
  Ta  Ta94  1  0.687704  0.087657  0.628455  1
  Ta  Ta95  1  0.325939  0.814130  0.597322  1
  Ta  Ta96  1  0.189555  0.087654  0.628451  1
  Ta  Ta97  1  0.733676  0.497619  0.675325  1
  Ta  Ta98  1  0.233851  0.497260  0.675625  1
  Ta  Ta99  1  0.801168  0.860052  0.657749  1
  Ta  Ta100  1  0.870199  0.224557  0.643160  1
  Ta  Ta101  1  0.303754  0.860067  0.657750  1
  Ta  Ta102  1  0.160085  0.133808  0.688454  1
  Ta  Ta103  1  0.551788  0.360166  0.657971  1
  Ta  Ta104  1  0.053048  0.360181  0.657969  1
  Ta  Ta105  1  0.621232  0.722479  0.643207  1
  Ta  Ta106  1  0.483991  0.997032  0.675455  1
  Ta  Ta107  1  0.121389  0.722178  0.643467  1
  Ta  Ta108  1  0.984836  0.995311  0.671986  1
  Ta  Ta109  1  0.532097  0.400826  0.714246  1
  Ta  Ta110  1  0.032336  0.400766  0.714249  1
  Ta  Ta111  1  0.600806  0.763370  0.700615  1
  Ta  Ta112  1  0.671104  0.133772  0.688465  1
  Ta  Ta113  1  0.095655  0.773715  0.701332  1
  Ta  Ta114  1  0.964882  0.035555  0.728078  1
  Ta  Ta115  1  0.350891  0.263271  0.700736  1
  Ta  Ta116  1  0.849192  0.266682  0.700960  1
  Ta  Ta117  1  0.412705  0.636347  0.687308  1
  Ta  Ta118  1  0.283444  0.901138  0.714447  1
  Ta  Ta119  1  0.915895  0.636322  0.687309  1
  Ta  Ta120  1  0.780641  0.901047  0.714448  1
