# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28071650
_cell_length_b   11.41971017
_cell_length_c   48.18681938
_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   Ta84
_cell_volume   3368.6379461
_cell_formula_units_Z   84
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  0.558536  0.091303  0.289560  1
  Ta  Ta2  1  0.717604  0.394293  0.309784  1
  Ta  Ta3  1  0.428895  0.800867  0.269465  1
  Ta  Ta4  1  0.719194  0.897693  0.309352  1
  Ta  Ta5  1  0.420169  0.296949  0.270200  1
  Ta  Ta6  1  0.566406  0.586047  0.286830  1
  Ta  Ta7  1  0.777548  0.998935  0.251178  1
  Ta  Ta8  1  0.911944  0.280098  0.269815  1
  Ta  Ta9  1  0.067483  0.584645  0.286764  1
  Ta  Ta10  1  0.078985  0.089498  0.289445  1
  Ta  Ta11  1  0.210993  0.393627  0.309875  1
  Ta  Ta12  1  0.925935  0.796447  0.269694  1
  Ta  Ta13  1  0.013079  1.001070  0.351695  1
  Ta  Ta14  1  0.160453  0.303483  0.372857  1
  Ta  Ta15  1  0.860150  0.694785  0.328041  1
  Ta  Ta16  1  0.159839  0.800125  0.372251  1
  Ta  Ta17  1  0.863111  0.196637  0.329454  1
  Ta  Ta18  1  0.012693  0.502631  0.350886  1
  Ta  Ta19  1  0.214656  0.892537  0.310311  1
  Ta  Ta20  1  0.364497  0.200413  0.330172  1
  Ta  Ta21  1  0.512013  0.501470  0.350618  1
  Ta  Ta22  1  0.511439  1.001303  0.351472  1
  Ta  Ta23  1  0.662380  0.303560  0.372820  1
  Ta  Ta24  1  0.361259  0.694475  0.328050  1
  Ta  Ta25  1  0.459646  0.905882  0.415487  1
  Ta  Ta26  1  0.609878  0.209146  0.437367  1
  Ta  Ta27  1  0.311360  0.604519  0.394033  1
  Ta  Ta28  1  0.609835  0.708768  0.437107  1
  Ta  Ta29  1  0.311293  0.105431  0.394546  1
  Ta  Ta30  1  0.460586  0.407099  0.415762  1
  Ta  Ta31  1  0.659778  0.800881  0.372059  1
  Ta  Ta32  1  0.810827  0.105075  0.394484  1
  Ta  Ta33  1  0.960574  0.407239  0.415787  1
  Ta  Ta34  1  0.959639  0.905815  0.415515  1
  Ta  Ta35  1  0.109713  0.209144  0.437371  1
  Ta  Ta36  1  0.810626  0.604660  0.394025  1
  Ta  Ta37  1  0.908847  0.813176  0.480191  1
  Ta  Ta38  1  0.058212  0.115454  0.501820  1
  Ta  Ta39  1  0.759414  0.511149  0.458706  1
  Ta  Ta40  1  0.058367  0.615263  0.501661  1
  Ta  Ta41  1  0.758963  1.010746  0.458675  1
  Ta  Ta42  1  0.908570  0.313109  0.480247  1
  Ta  Ta43  1  0.109856  0.708676  0.437126  1
  Ta  Ta44  1  0.258998  1.010770  0.458681  1
  Ta  Ta45  1  0.408618  0.313126  0.480250  1
  Ta  Ta46  1  0.408905  0.813187  0.480189  1
  Ta  Ta47  1  0.558075  0.115449  0.501819  1
  Ta  Ta48  1  0.259475  0.511125  0.458706  1
  Ta  Ta49  1  0.357724  0.719377  0.544615  1
  Ta  Ta50  1  0.506191  1.022570  0.566388  1
  Ta  Ta51  1  0.207242  0.416975  0.523109  1
  Ta  Ta52  1  0.505796  0.519714  0.565970  1
  Ta  Ta53  1  0.207922  0.917713  0.523261  1
  Ta  Ta54  1  0.357532  0.220289  0.544997  1
  Ta  Ta55  1  0.558327  0.615203  0.501658  1
  Ta  Ta56  1  0.708045  0.917820  0.523275  1
  Ta  Ta57  1  0.856969  0.219958  0.544945  1
  Ta  Ta58  1  0.857064  0.719320  0.544616  1
  Ta  Ta59  1  0.007852  1.022714  0.566418  1
  Ta  Ta60  1  0.707464  0.416982  0.523129  1
  Ta  Ta61  1  0.802716  0.622332  0.608731  1
  Ta  Ta62  1  0.958563  0.931768  0.631048  1
  Ta  Ta63  1  0.658149  0.323994  0.588547  1
  Ta  Ta64  1  0.958048  0.431486  0.631218  1
  Ta  Ta65  1  0.658012  0.825025  0.587706  1
  Ta  Ta66  1  0.803760  0.124928  0.609619  1
  Ta  Ta67  1  0.006180  0.520330  0.565991  1
  Ta  Ta68  1  0.156533  0.823835  0.587493  1
  Ta  Ta69  1  0.306812  0.128713  0.610271  1
  Ta  Ta70  1  0.305208  0.623234  0.608729  1
  Ta  Ta71  1  0.449848  0.931030  0.630772  1
  Ta  Ta72  1  0.155505  0.323703  0.588280  1
  Ta  Ta73  1  0.255218  0.546103  0.671329  1
  Ta  Ta74  1  0.391957  0.826404  0.688964  1
  Ta  Ta75  1  0.090254  0.232223  0.650639  1
  Ta  Ta76  1  0.388538  0.336039  0.687784  1
  Ta  Ta77  1  0.099878  0.731663  0.648595  1
  Ta  Ta78  1  0.248891  1.040260  0.672453  1
  Ta  Ta79  1  0.451846  0.428380  0.631284  1
  Ta  Ta80  1  0.602938  0.733508  0.648841  1
  Ta  Ta81  1  0.740397  1.024445  0.671412  1
  Ta  Ta82  1  0.747896  0.540521  0.671373  1
  Ta  Ta83  1  0.896427  0.823206  0.689411  1
  Ta  Ta84  1  0.608711  0.233452  0.650954  1
