# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72803769
_cell_length_b   13.28307271
_cell_length_c   56.38662472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta88
_cell_volume   3541.24176945
_cell_formula_units_Z   88
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  1.003287  0.244671  0.283220  1
  Ta  Ta2  1  0.503287  0.776171  0.278520  1
  Ta  Ta3  1  1.003287  0.701102  0.357690  1
  Ta  Ta4  1  1.003287  0.468858  0.294913  1
  Ta  Ta5  1  0.503287  0.639870  0.380214  1
  Ta  Ta6  1  0.503287  0.576598  0.284754  1
  Ta  Ta7  1  1.003287  0.315880  0.326789  1
  Ta  Ta8  1  1.003287  0.894728  0.339324  1
  Ta  Ta9  1  0.503287  0.310421  0.350611  1
  Ta  Ta10  1  0.503287  0.944536  0.311507  1
  Ta  Ta11  1  1.003287  0.665473  0.308224  1
  Ta  Ta12  1  1.003287  0.498362  0.353700  1
  Ta  Ta13  1  0.503287  0.744354  0.326502  1
  Ta  Ta14  1  0.503287  0.523274  0.331764  1
  Ta  Ta15  1  1.003287  0.136801  0.360579  1
  Ta  Ta16  1  1.003287  0.070780  0.312662  1
  Ta  Ta17  1  0.503287  0.044947  0.354875  1
  Ta  Ta18  1  0.503287  0.171724  0.314796  1
  Ta  Ta19  1  1.003287  0.326087  0.378499  1
  Ta  Ta20  1  1.003287  0.861432  0.291638  1
  Ta  Ta21  1  0.503287  0.842692  0.370343  1
  Ta  Ta22  1  0.503287  0.359799  0.295021  1
  Ta  Ta23  1  1.003287  0.934278  0.386971  1
  Ta  Ta24  1  0.503287  0.440162  0.389970  1
  Ta  Ta25  1  1.003287  0.352584  0.472167  1
  Ta  Ta26  1  1.003287  0.137442  0.411203  1
  Ta  Ta27  1  0.503287  0.286315  0.492580  1
  Ta  Ta28  1  0.503287  0.231095  0.396267  1
  Ta  Ta29  1  1.003287  0.966337  0.436219  1
  Ta  Ta30  1  0.003287  0.560193  0.452811  1
  Ta  Ta31  1  0.503287  0.958299  0.461824  1
  Ta  Ta32  1  0.503287  0.625691  0.431782  1
  Ta  Ta33  1  1.003287  0.330434  0.425655  1
  Ta  Ta34  1  1.003287  0.138442  0.468338  1
  Ta  Ta35  1  0.503287  0.413052  0.439604  1
  Ta  Ta36  1  0.503287  0.182164  0.445991  1
  Ta  Ta37  1  0.003287  0.772765  0.456811  1
  Ta  Ta38  1  1.003287  0.739463  0.407052  1
  Ta  Ta39  1  0.503287  0.733823  0.477982  1
  Ta  Ta40  1  0.503287  0.830369  0.422175  1
  Ta  Ta41  1  0.003287  0.940980  0.488194  1
  Ta  Ta42  1  1.003287  0.531298  0.404480  1
  Ta  Ta43  1  0.503287  0.497820  0.484251  1
  Ta  Ta44  1  0.503287  0.026607  0.404608  1
  Ta  Ta45  1  0.003287  0.583519  0.500236  1
  Ta  Ta46  1  0.503287  0.082860  0.502230  1
  Ta  Ta47  1  0.003287  0.049263  0.592060  1
  Ta  Ta48  1  0.003287  0.778940  0.518293  1
  Ta  Ta49  1  0.503287  0.960697  0.606260  1
  Ta  Ta50  1  0.503287  0.887658  0.517082  1
  Ta  Ta51  1  0.003287  0.617618  0.549326  1
  Ta  Ta52  1  0.003287  0.215562  0.566005  1
  Ta  Ta53  1  0.503287  0.571036  0.578552  1
  Ta  Ta54  1  0.503287  0.260878  0.543708  1
  Ta  Ta55  1  0.003287  0.982146  0.537245  1
  Ta  Ta56  1  0.003287  0.856474  0.574357  1
  Ta  Ta57  1  0.503287  0.045555  0.557018  1
  Ta  Ta58  1  0.503287  0.789947  0.560835  1
  Ta  Ta59  1  0.003287  0.423028  0.567191  1
  Ta  Ta60  1  0.003287  0.383896  0.519455  1
  Ta  Ta61  1  0.503287  0.364889  0.589626  1
  Ta  Ta62  1  0.503287  0.466112  0.535162  1
  Ta  Ta63  1  0.003287  0.661795  0.595854  1
  Ta  Ta64  1  0.003287  0.172175  0.517701  1
  Ta  Ta65  1  0.503287  0.164701  0.600932  1
  Ta  Ta66  1  0.503287  0.661324  0.523192  1
  Ta  Ta67  1  0.003287  0.254988  0.616644  1
  Ta  Ta68  1  0.503287  0.753714  0.611540  1
  Ta  Ta69  1  1.003287  0.645606  0.698341  1
  Ta  Ta70  1  0.003287  0.464449  0.614339  1
  Ta  Ta71  1  0.503287  0.591557  0.718832  1
  Ta  Ta72  1  0.503287  0.558112  0.629229  1
  Ta  Ta73  1  1.003287  0.296478  0.665550  1
  Ta  Ta74  1  0.003287  0.864330  0.680394  1
  Ta  Ta75  1  0.503287  0.256033  0.693512  1
  Ta  Ta76  1  0.503287  0.880937  0.652644  1
  Ta  Ta77  1  0.003287  0.695254  0.645097  1
  Ta  Ta78  1  0.003287  0.504307  0.661332  1
  Ta  Ta79  1  0.503287  0.677181  0.670367  1
  Ta  Ta80  1  0.503287  0.461752  0.683255  1
  Ta  Ta81  1  0.003287  0.118367  0.690167  1
  Ta  Ta82  1  0.003287  0.052766  0.643471  1
  Ta  Ta83  1  0.503287  0.013191  0.688613  1
  Ta  Ta84  1  0.503287  0.146055  0.650649  1
  Ta  Ta85  1  1.003287  0.424240  0.707699  1
  Ta  Ta86  1  0.003287  0.869932  0.623054  1
  Ta  Ta87  1  0.503287  0.805688  0.706151  1
  Ta  Ta88  1  0.503287  0.352459  0.640030  1
