# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71404904
_cell_length_b   10.76995993
_cell_length_c   53.17869895
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06762976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta110
_cell_volume   4418.08317948
_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  1.002174  0.000689  0.339083  1
  Ta  Ta2  1  0.502174  0.500689  0.294422  1
  Ta  Ta3  1  0.755349  0.816511  0.339641  1
  Ta  Ta4  1  0.249000  0.184868  0.339641  1
  Ta  Ta5  1  0.419110  0.222220  0.292945  1
  Ta  Ta6  1  0.585239  0.779158  0.292945  1
  Ta  Ta7  1  0.914080  0.261619  0.338320  1
  Ta  Ta8  1  0.090268  0.739760  0.338320  1
  Ta  Ta9  1  0.243151  0.682001  0.294757  1
  Ta  Ta10  1  0.761197  0.319378  0.294757  1
  Ta  Ta11  1  0.404357  0.889143  0.342097  1
  Ta  Ta12  1  0.599991  0.112236  0.342097  1
  Ta  Ta13  1  0.698107  0.034040  0.297885  1
  Ta  Ta14  1  0.306242  0.967339  0.297885  1
  Ta  Ta15  1  0.191351  0.496503  0.342320  1
  Ta  Ta16  1  0.812997  0.504876  0.342320  1
  Ta  Ta17  1  0.870364  0.606610  0.298429  1
  Ta  Ta18  1  0.133984  0.394769  0.298429  1
  Ta  Ta19  1  0.488088  0.639893  0.338059  1
  Ta  Ta20  1  0.516261  0.361486  0.338059  1
  Ta  Ta21  1  0.962840  0.861652  0.291979  1
  Ta  Ta22  1  0.041509  0.139727  0.291979  1
  Ta  Ta23  1  1.002174  0.000689  0.431194  1
  Ta  Ta24  1  0.502174  0.500689  0.385203  1
  Ta  Ta25  1  0.753887  0.815387  0.431220  1
  Ta  Ta26  1  0.250462  0.185992  0.431220  1
  Ta  Ta27  1  0.417231  0.230051  0.385814  1
  Ta  Ta28  1  0.587117  0.771328  0.385814  1
  Ta  Ta29  1  0.919945  0.274314  0.430932  1
  Ta  Ta30  1  0.084403  0.727065  0.430932  1
  Ta  Ta31  1  0.256054  0.686012  0.384786  1
  Ta  Ta32  1  0.748294  0.315367  0.384786  1
  Ta  Ta33  1  0.395734  0.889584  0.431261  1
  Ta  Ta34  1  0.608614  0.111795  0.431261  1
  Ta  Ta35  1  0.693148  0.013375  0.386355  1
  Ta  Ta36  1  0.311200  0.988004  0.386355  1
  Ta  Ta37  1  0.192419  0.485121  0.430928  1
  Ta  Ta38  1  0.811930  0.516258  0.430928  1
  Ta  Ta39  1  0.899448  0.613269  0.385741  1
  Ta  Ta40  1  0.104901  0.388110  0.385741  1
  Ta  Ta41  1  0.471589  0.639376  0.430957  1
  Ta  Ta42  1  0.532759  0.362003  0.430957  1
  Ta  Ta43  1  0.974890  0.862177  0.385339  1
  Ta  Ta44  1  0.029458  0.139202  0.385339  1
  Ta  Ta45  1  1.002174  0.000689  0.522189  1
  Ta  Ta46  1  0.502174  0.500689  0.476500  1
  Ta  Ta47  1  0.752078  0.816014  0.522132  1
  Ta  Ta48  1  0.252271  0.185365  0.522132  1
  Ta  Ta49  1  0.422397  0.226732  0.476638  1
  Ta  Ta50  1  0.581952  0.774647  0.476638  1
  Ta  Ta51  1  0.922459  0.274546  0.522048  1
  Ta  Ta52  1  0.081890  0.726833  0.522048  1
  Ta  Ta53  1  0.252066  0.685344  0.476560  1
  Ta  Ta54  1  0.752282  0.316034  0.476560  1
  Ta  Ta55  1  0.394305  0.890205  0.522226  1
  Ta  Ta56  1  0.610044  0.111174  0.522226  1
  Ta  Ta57  1  0.692591  0.016277  0.476705  1
  Ta  Ta58  1  0.311757  0.985102  0.476705  1
  Ta  Ta59  1  0.192504  0.485242  0.521973  1
  Ta  Ta60  1  0.811844  0.516137  0.521973  1
  Ta  Ta61  1  0.894214  0.611144  0.476459  1
  Ta  Ta62  1  0.110134  0.390235  0.476459  1
  Ta  Ta63  1  0.472257  0.639783  0.522049  1
  Ta  Ta64  1  0.532091  0.361595  0.522049  1
  Ta  Ta65  1  0.972067  0.861577  0.476640  1
  Ta  Ta66  1  0.032281  0.139802  0.476640  1
  Ta  Ta67  1  1.002174  0.000689  0.613483  1
  Ta  Ta68  1  0.502174  0.500689  0.567492  1
  Ta  Ta69  1  0.756008  0.815364  0.613912  1
  Ta  Ta70  1  0.248340  0.186015  0.613912  1
  Ta  Ta71  1  0.419955  0.226990  0.567761  1
  Ta  Ta72  1  0.584393  0.774389  0.567761  1
  Ta  Ta73  1  0.917507  0.271450  0.612867  1
  Ta  Ta74  1  0.086842  0.729929  0.612867  1
  Ta  Ta75  1  0.253825  0.685928  0.567468  1
  Ta  Ta76  1  0.750524  0.315451  0.567468  1
  Ta  Ta77  1  0.399434  0.888035  0.612944  1
  Ta  Ta78  1  0.604914  0.113343  0.612944  1
  Ta  Ta79  1  0.692517  0.016348  0.567762  1
  Ta  Ta80  1  0.311831  0.985031  0.567762  1
  Ta  Ta81  1  0.193042  0.487940  0.612332  1
  Ta  Ta82  1  0.811307  0.513439  0.612332  1
  Ta  Ta83  1  0.895585  0.611748  0.567410  1
  Ta  Ta84  1  0.108764  0.389631  0.567410  1
  Ta  Ta85  1  0.474966  0.639162  0.613347  1
  Ta  Ta86  1  0.529383  0.362217  0.613347  1
  Ta  Ta87  1  0.971451  0.861975  0.567737  1
  Ta  Ta88  1  0.032897  0.139404  0.567737  1
  Ta  Ta89  1  1.002174  0.000689  0.704253  1
  Ta  Ta90  1  0.502174  0.500689  0.659608  1
  Ta  Ta91  1  0.743217  0.819347  0.703959  1
  Ta  Ta92  1  0.261131  0.182032  0.703959  1
  Ta  Ta93  1  0.413989  0.239776  0.660380  1
  Ta  Ta94  1  0.590359  0.761603  0.660380  1
  Ta  Ta95  1  0.919202  0.279204  0.705732  1
  Ta  Ta96  1  0.085147  0.722175  0.705732  1
  Ta  Ta97  1  0.255336  0.684827  0.659033  1
  Ta  Ta98  1  0.749012  0.316552  0.659033  1
  Ta  Ta99  1  0.370422  0.894703  0.700234  1
  Ta  Ta100  1  0.633927  0.106675  0.700234  1
  Ta  Ta101  1  0.691406  0.004921  0.656355  1
  Ta  Ta102  1  0.312943  0.996458  0.656355  1
  Ta  Ta103  1  0.198100  0.467352  0.700846  1
  Ta  Ta104  1  0.806249  0.534026  0.700846  1
  Ta  Ta105  1  0.904256  0.612158  0.656619  1
  Ta  Ta106  1  0.100092  0.389221  0.656619  1
  Ta  Ta107  1  0.462790  0.639706  0.706710  1
  Ta  Ta108  1  0.541558  0.361673  0.706710  1
  Ta  Ta109  1  0.988030  0.861439  0.660619  1
  Ta  Ta110  1  0.016319  0.139940  0.660619  1
