# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31259250
_cell_length_b   11.84369608
_cell_length_c   46.39182425
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta120
_cell_volume   4706.78077707
_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  0.250417  0.080544  0.296897  1
  Ta  Ta2  1  0.750417  0.080544  0.296897  1
  Ta  Ta3  1  0.684447  0.448366  0.285367  1
  Ta  Ta4  1  0.816338  0.712532  0.310725  1
  Ta  Ta5  1  0.184447  0.448366  0.285367  1
  Ta  Ta6  1  0.316338  0.712532  0.310725  1
  Ta  Ta7  1  0.566338  0.212532  0.310725  1
  Ta  Ta8  1  0.066338  0.212532  0.310725  1
  Ta  Ta9  1  1.000417  0.580544  0.296897  1
  Ta  Ta10  1  0.434447  0.948366  0.285367  1
  Ta  Ta11  1  0.500417  0.580544  0.296897  1
  Ta  Ta12  1  0.934447  0.948366  0.285367  1
  Ta  Ta13  1  0.953901  0.987706  0.342024  1
  Ta  Ta14  1  0.453901  0.987706  0.342024  1
  Ta  Ta15  1  0.385852  0.351622  0.324028  1
  Ta  Ta16  1  0.522764  0.625500  0.356040  1
  Ta  Ta17  1  0.885852  0.351622  0.324028  1
  Ta  Ta18  1  0.022764  0.625500  0.356040  1
  Ta  Ta19  1  0.272764  0.125500  0.356040  1
  Ta  Ta20  1  0.772764  0.125500  0.356040  1
  Ta  Ta21  1  0.703901  0.487706  0.342024  1
  Ta  Ta22  1  0.135852  0.851622  0.324028  1
  Ta  Ta23  1  0.203901  0.487706  0.342024  1
  Ta  Ta24  1  0.635852  0.851622  0.324028  1
  Ta  Ta25  1  0.658409  0.896865  0.386230  1
  Ta  Ta26  1  0.158409  0.896865  0.386230  1
  Ta  Ta27  1  0.090235  0.260483  0.371126  1
  Ta  Ta28  1  0.226759  0.533582  0.402172  1
  Ta  Ta29  1  0.590235  0.260483  0.371126  1
  Ta  Ta30  1  0.726759  0.533582  0.402172  1
  Ta  Ta31  1  0.976759  0.033582  0.402172  1
  Ta  Ta32  1  0.476759  0.033582  0.402172  1
  Ta  Ta33  1  0.408409  0.396865  0.386230  1
  Ta  Ta34  1  0.840235  0.760483  0.371126  1
  Ta  Ta35  1  0.908409  0.396865  0.386230  1
  Ta  Ta36  1  0.340235  0.760483  0.371126  1
  Ta  Ta37  1  0.362898  0.805940  0.432216  1
  Ta  Ta38  1  0.862898  0.805940  0.432216  1
  Ta  Ta39  1  0.794893  0.169895  0.417006  1
  Ta  Ta40  1  0.931045  0.442265  0.447455  1
  Ta  Ta41  1  0.294893  0.169895  0.417006  1
  Ta  Ta42  1  0.431045  0.442265  0.447455  1
  Ta  Ta43  1  0.681045  0.942265  0.447455  1
  Ta  Ta44  1  0.181045  0.942265  0.447455  1
  Ta  Ta45  1  0.112898  0.305940  0.432216  1
  Ta  Ta46  1  0.544893  0.669895  0.417006  1
  Ta  Ta47  1  0.612898  0.305940  0.432216  1
  Ta  Ta48  1  0.044893  0.669895  0.417006  1
  Ta  Ta49  1  0.067345  0.714936  0.477950  1
  Ta  Ta50  1  0.567345  0.714936  0.477950  1
  Ta  Ta51  1  0.499231  0.078669  0.462861  1
  Ta  Ta52  1  0.635460  0.351196  0.493224  1
  Ta  Ta53  1  0.999231  0.078669  0.462861  1
  Ta  Ta54  1  0.135460  0.351196  0.493224  1
  Ta  Ta55  1  0.385460  0.851196  0.493224  1
  Ta  Ta56  1  0.885460  0.851196  0.493224  1
  Ta  Ta57  1  0.817345  0.214936  0.477950  1
  Ta  Ta58  1  0.249231  0.578669  0.462861  1
  Ta  Ta59  1  0.317345  0.214936  0.477950  1
  Ta  Ta60  1  0.749231  0.578669  0.462861  1
  Ta  Ta61  1  0.771720  0.623780  0.523751  1
  Ta  Ta62  1  0.271720  0.623780  0.523751  1
  Ta  Ta63  1  0.203606  0.987520  0.508477  1
  Ta  Ta64  1  0.339835  0.260047  0.538840  1
  Ta  Ta65  1  0.703606  0.987520  0.508477  1
  Ta  Ta66  1  0.839835  0.260047  0.538840  1
  Ta  Ta67  1  0.089835  0.760047  0.538840  1
  Ta  Ta68  1  0.589835  0.760047  0.538840  1
  Ta  Ta69  1  0.521720  0.123780  0.523751  1
  Ta  Ta70  1  0.953606  0.487520  0.508477  1
  Ta  Ta71  1  0.021720  0.123780  0.523751  1
  Ta  Ta72  1  0.453606  0.487520  0.508477  1
  Ta  Ta73  1  0.476168  0.532776  0.569485  1
  Ta  Ta74  1  0.976168  0.532776  0.569485  1
  Ta  Ta75  1  0.908020  0.896451  0.554246  1
  Ta  Ta76  1  0.044172  0.168821  0.584695  1
  Ta  Ta77  1  0.408020  0.896451  0.554246  1
  Ta  Ta78  1  0.544172  0.168821  0.584695  1
  Ta  Ta79  1  0.794172  0.668821  0.584695  1
  Ta  Ta80  1  0.294172  0.668821  0.584695  1
  Ta  Ta81  1  0.226168  0.032776  0.569485  1
  Ta  Ta82  1  0.658020  0.396451  0.554246  1
  Ta  Ta83  1  0.726168  0.032776  0.569485  1
  Ta  Ta84  1  0.158020  0.396451  0.554246  1
  Ta  Ta85  1  0.180657  0.441851  0.615471  1
  Ta  Ta86  1  0.680657  0.441851  0.615471  1
  Ta  Ta87  1  0.612306  0.805134  0.599529  1
  Ta  Ta88  1  0.748831  0.078233  0.630575  1
  Ta  Ta89  1  0.112306  0.805134  0.599529  1
  Ta  Ta90  1  0.248831  0.078233  0.630575  1
  Ta  Ta91  1  0.498831  0.578233  0.630575  1
  Ta  Ta92  1  0.998831  0.578233  0.630575  1
  Ta  Ta93  1  0.930657  0.941851  0.615471  1
  Ta  Ta94  1  0.362306  0.305134  0.599529  1
  Ta  Ta95  1  0.430657  0.941851  0.615471  1
  Ta  Ta96  1  0.862306  0.305134  0.599529  1
  Ta  Ta97  1  0.885164  0.351010  0.659677  1
  Ta  Ta98  1  0.385164  0.351010  0.659677  1
  Ta  Ta99  1  0.316301  0.713216  0.645661  1
  Ta  Ta100  1  0.453213  0.987094  0.677673  1
  Ta  Ta101  1  0.816301  0.713216  0.645661  1
  Ta  Ta102  1  0.953213  0.987094  0.677673  1
  Ta  Ta103  1  0.203213  0.487094  0.677673  1
  Ta  Ta104  1  0.703213  0.487094  0.677673  1
  Ta  Ta105  1  0.635164  0.851010  0.659677  1
  Ta  Ta106  1  0.066301  0.213216  0.645661  1
  Ta  Ta107  1  0.135164  0.851010  0.659677  1
  Ta  Ta108  1  0.566301  0.213216  0.645661  1
  Ta  Ta109  1  0.588649  0.258171  0.704804  1
  Ta  Ta110  1  0.088649  0.258171  0.704804  1
  Ta  Ta111  1  0.022727  0.626184  0.690976  1
  Ta  Ta112  1  0.154618  0.890349  0.716334  1
  Ta  Ta113  1  0.522727  0.626184  0.690976  1
  Ta  Ta114  1  0.654618  0.890349  0.716334  1
  Ta  Ta115  1  0.904618  0.390349  0.716334  1
  Ta  Ta116  1  0.404618  0.390349  0.716334  1
  Ta  Ta117  1  0.338649  0.758171  0.704804  1
  Ta  Ta118  1  0.772727  0.126184  0.690976  1
  Ta  Ta119  1  0.838649  0.758171  0.704804  1
  Ta  Ta120  1  0.272727  0.126184  0.690976  1
