# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68979782
_cell_length_b   10.36852794
_cell_length_c   45.40295780
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta54
_cell_volume   2151.87565024
_cell_formula_units_Z   54
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  0.646758  0.878845  0.288513  1
  Ta  Ta2  1  0.799953  0.186171  0.304948  1
  Ta  Ta3  1  0.955701  0.497889  0.321493  1
  Ta  Ta4  1  0.068591  0.721289  0.283069  1
  Ta  Ta5  1  0.222097  0.030055  0.296776  1
  Ta  Ta6  1  0.377785  0.342044  0.312972  1
  Ta  Ta7  1  0.115182  0.816690  0.338016  1
  Ta  Ta8  1  0.273135  0.132780  0.354741  1
  Ta  Ta9  1  0.431056  0.448791  0.370827  1
  Ta  Ta10  1  0.535437  0.657227  0.327565  1
  Ta  Ta11  1  0.694364  0.975107  0.346451  1
  Ta  Ta12  1  0.851597  0.289816  0.363037  1
  Ta  Ta13  1  0.587680  0.762135  0.387246  1
  Ta  Ta14  1  0.746057  0.078962  0.404774  1
  Ta  Ta15  1  0.904082  0.395118  0.421262  1
  Ta  Ta16  1  0.009327  0.605344  0.379144  1
  Ta  Ta17  1  0.167076  0.920947  0.396353  1
  Ta  Ta18  1  0.325274  0.237449  0.413004  1
  Ta  Ta19  1  0.061491  0.710050  0.437830  1
  Ta  Ta20  1  0.219372  0.025918  0.454747  1
  Ta  Ta21  1  0.377258  0.341790  0.471405  1
  Ta  Ta22  1  0.482841  0.552692  0.429454  1
  Ta  Ta23  1  0.640229  0.867592  0.446186  1
  Ta  Ta24  1  0.798340  0.183904  0.463100  1
  Ta  Ta25  1  0.534920  0.657222  0.488032  1
  Ta  Ta26  1  0.692694  0.972879  0.504820  1
  Ta  Ta27  1  0.850434  0.288464  0.521552  1
  Ta  Ta28  1  0.956087  0.499501  0.479717  1
  Ta  Ta29  1  0.113827  0.815087  0.496449  1
  Ta  Ta30  1  0.271601  0.130744  0.513236  1
  Ta  Ta31  1  0.008181  0.604062  0.538169  1
  Ta  Ta32  1  0.166292  0.920374  0.555083  1
  Ta  Ta33  1  0.323680  0.235274  0.571815  1
  Ta  Ta34  1  0.429263  0.446175  0.529864  1
  Ta  Ta35  1  0.587149  0.762047  0.546522  1
  Ta  Ta36  1  0.745030  0.077915  0.563439  1
  Ta  Ta37  1  0.481247  0.550516  0.588265  1
  Ta  Ta38  1  0.639445  0.867019  0.604916  1
  Ta  Ta39  1  0.797194  0.182621  0.622125  1
  Ta  Ta40  1  0.902440  0.392847  0.580007  1
  Ta  Ta41  1  0.060464  0.709004  0.596495  1
  Ta  Ta42  1  0.218841  0.025830  0.614022  1
  Ta  Ta43  1  0.954924  0.498150  0.638232  1
  Ta  Ta44  1  0.112157  0.812859  0.654818  1
  Ta  Ta45  1  0.271084  0.130739  0.673704  1
  Ta  Ta46  1  0.375465  0.339175  0.630441  1
  Ta  Ta47  1  0.533386  0.655185  0.646528  1
  Ta  Ta48  1  0.691339  0.971276  0.663253  1
  Ta  Ta49  1  0.428736  0.445921  0.688297  1
  Ta  Ta50  1  0.584424  0.757910  0.704492  1
  Ta  Ta51  1  0.737930  0.066676  0.718200  1
  Ta  Ta52  1  0.850820  0.290077  0.679775  1
  Ta  Ta53  1  0.006568  0.601795  0.696321  1
  Ta  Ta54  1  0.159763  0.909121  0.712756  1
