# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31267177
_cell_length_b   11.84371961
_cell_length_c   46.38755177
_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   4706.39671315
_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  0.367735  0.225397  0.307435  1
  Ta  Ta2  1  0.870590  0.219681  0.306924  1
  Ta  Ta3  1  0.436676  0.589226  0.293361  1
  Ta  Ta4  1  0.297311  0.858036  0.321168  1
  Ta  Ta5  1  0.934886  0.589222  0.293362  1
  Ta  Ta6  1  0.000777  0.958929  0.282048  1
  Ta  Ta7  1  0.185909  0.088348  0.294544  1
  Ta  Ta8  1  0.686450  0.088304  0.294548  1
  Ta  Ta9  1  0.250958  0.458631  0.281584  1
  Ta  Ta10  1  0.120356  0.720227  0.306942  1
  Ta  Ta11  1  0.751922  0.456692  0.281747  1
  Ta  Ta12  1  0.620709  0.719525  0.307704  1
  Ta  Ta13  1  0.165965  0.132706  0.352493  1
  Ta  Ta14  1  0.662360  0.132702  0.352495  1
  Ta  Ta15  1  0.232562  0.495840  0.338374  1
  Ta  Ta16  1  0.096657  0.767782  0.367631  1
  Ta  Ta17  1  0.732855  0.495257  0.338431  1
  Ta  Ta18  1  0.805675  0.858003  0.321167  1
  Ta  Ta19  1  0.982332  0.996329  0.338687  1
  Ta  Ta20  1  0.483597  0.993841  0.335112  1
  Ta  Ta21  1  0.050037  0.359291  0.320332  1
  Ta  Ta22  1  0.913842  0.632744  0.352510  1
  Ta  Ta23  1  0.551638  0.359290  0.320332  1
  Ta  Ta24  1  0.414450  0.632753  0.352507  1
  Ta  Ta25  1  0.959963  0.041207  0.398600  1
  Ta  Ta26  1  0.460312  0.040537  0.397434  1
  Ta  Ta27  1  0.028358  0.404219  0.382567  1
  Ta  Ta28  1  0.891655  0.677651  0.413320  1
  Ta  Ta29  1  0.528531  0.404225  0.382566  1
  Ta  Ta30  1  0.595513  0.770053  0.367182  1
  Ta  Ta31  1  0.777686  0.904684  0.382407  1
  Ta  Ta32  1  0.278757  0.904685  0.382407  1
  Ta  Ta33  1  0.846707  0.267655  0.367402  1
  Ta  Ta34  1  0.709757  0.541620  0.398453  1
  Ta  Ta35  1  0.346557  0.267974  0.367344  1
  Ta  Ta36  1  0.210097  0.540940  0.398540  1
  Ta  Ta37  1  0.755560  0.949845  0.443630  1
  Ta  Ta38  1  0.255849  0.949844  0.443630  1
  Ta  Ta39  1  0.823833  0.313551  0.428477  1
  Ta  Ta40  1  0.687453  0.586376  0.459119  1
  Ta  Ta41  1  0.323962  0.313295  0.428440  1
  Ta  Ta42  1  0.391875  0.677649  0.413320  1
  Ta  Ta43  1  0.573657  0.813903  0.428355  1
  Ta  Ta44  1  0.073835  0.813550  0.428547  1
  Ta  Ta45  1  0.641592  0.177300  0.413305  1
  Ta  Ta46  1  0.505720  0.449853  0.443744  1
  Ta  Ta47  1  0.142290  0.177296  0.413304  1
  Ta  Ta48  1  0.005676  0.449853  0.443744  1
  Ta  Ta49  1  0.551285  0.858786  0.489338  1
  Ta  Ta50  1  0.051278  0.858798  0.489504  1
  Ta  Ta51  1  0.619312  0.222494  0.474208  1
  Ta  Ta52  1  0.483144  0.495118  0.504763  1
  Ta  Ta53  1  0.119515  0.222494  0.474208  1
  Ta  Ta54  1  0.187523  0.586237  0.459160  1
  Ta  Ta55  1  0.369378  0.722563  0.474226  1
  Ta  Ta56  1  0.869379  0.722564  0.474226  1
  Ta  Ta57  1  0.437629  0.086031  0.458803  1
  Ta  Ta58  1  0.301299  0.358755  0.489460  1
  Ta  Ta59  1  0.937493  0.086297  0.459166  1
  Ta  Ta60  1  0.801275  0.358803  0.489499  1
  Ta  Ta61  1  0.346833  0.767595  0.535133  1
  Ta  Ta62  1  0.847027  0.767594  0.535132  1
  Ta  Ta63  1  0.415011  0.131400  0.519874  1
  Ta  Ta64  1  0.278655  0.404177  0.550497  1
  Ta  Ta65  1  0.915011  0.131399  0.520026  1
  Ta  Ta66  1  0.983123  0.495118  0.504763  1
  Ta  Ta67  1  0.165020  0.631377  0.520025  1
  Ta  Ta68  1  0.665036  0.631347  0.520004  1
  Ta  Ta69  1  0.233158  0.995081  0.504658  1
  Ta  Ta70  1  0.096887  0.267688  0.535114  1
  Ta  Ta71  1  0.733150  0.995080  0.504658  1
  Ta  Ta72  1  0.596881  0.267688  0.535114  1
  Ta  Ta73  1  0.142549  0.676457  0.580962  1
  Ta  Ta74  1  0.642676  0.676204  0.580973  1
  Ta  Ta75  1  0.210490  0.040295  0.565654  1
  Ta  Ta76  1  0.074223  0.312931  0.595860  1
  Ta  Ta77  1  0.710740  0.040295  0.565654  1
  Ta  Ta78  1  0.778713  0.404062  0.550556  1
  Ta  Ta79  1  0.960513  0.540404  0.565801  1
  Ta  Ta80  1  0.460600  0.540404  0.565802  1
  Ta  Ta81  1  0.028728  0.904032  0.550532  1
  Ta  Ta82  1  0.892553  0.176452  0.581000  1
  Ta  Ta83  1  0.528875  0.903744  0.550159  1
  Ta  Ta84  1  0.392366  0.176825  0.580850  1
  Ta  Ta85  1  0.937871  0.585569  0.626988  1
  Ta  Ta86  1  0.438200  0.585575  0.626987  1
  Ta  Ta87  1  0.006139  0.949340  0.611802  1
  Ta  Ta88  1  0.870540  0.220636  0.642080  1
  Ta  Ta89  1  0.506524  0.948601  0.610624  1
  Ta  Ta90  1  0.574446  0.312929  0.595860  1
  Ta  Ta91  1  0.756150  0.449312  0.611873  1
  Ta  Ta92  1  0.255793  0.450030  0.611731  1
  Ta  Ta93  1  0.824859  0.812499  0.595943  1
  Ta  Ta94  1  0.688354  0.085961  0.626736  1
  Ta  Ta95  1  0.324237  0.812503  0.595944  1
  Ta  Ta96  1  0.187349  0.085960  0.626737  1
  Ta  Ta97  1  0.733611  0.494504  0.674179  1
  Ta  Ta98  1  0.233391  0.494944  0.674067  1
  Ta  Ta99  1  0.803643  0.858260  0.656418  1
  Ta  Ta100  1  0.660495  0.132488  0.688021  1
  Ta  Ta101  1  0.299844  0.858256  0.656421  1
  Ta  Ta102  1  0.369312  0.223071  0.641759  1
  Ta  Ta103  1  0.552077  0.358161  0.656185  1
  Ta  Ta104  1  0.051532  0.358152  0.656188  1
  Ta  Ta105  1  0.620586  0.720523  0.642022  1
  Ta  Ta106  1  0.484029  0.993753  0.670359  1
  Ta  Ta107  1  0.120639  0.720399  0.641927  1
  Ta  Ta108  1  0.982981  0.995811  0.673992  1
  Ta  Ta109  1  0.534161  0.398697  0.712824  1
  Ta  Ta110  1  0.029360  0.398701  0.712825  1
  Ta  Ta111  1  0.594864  0.772152  0.701742  1
  Ta  Ta112  1  0.467075  0.028121  0.727107  1
  Ta  Ta113  1  0.098470  0.764933  0.700968  1
  Ta  Ta114  1  0.168868  0.132458  0.688021  1
  Ta  Ta115  1  0.348013  0.265947  0.702069  1
  Ta  Ta116  1  0.848950  0.264086  0.701069  1
  Ta  Ta117  1  0.415134  0.633445  0.687366  1
  Ta  Ta118  1  0.280118  0.900230  0.714379  1
  Ta  Ta119  1  0.913188  0.633449  0.687367  1
  Ta  Ta120  1  0.781698  0.900271  0.714374  1
