# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89697381
_cell_length_b   13.29794353
_cell_length_c   46.28374466
_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   3537.56130674
_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  0.211907  0.916768  0.293815  1
  Ta  Ta2  1  0.372373  0.238522  0.312909  1
  Ta  Ta3  1  0.529770  0.552253  0.332085  1
  Ta  Ta4  1  0.372373  0.738522  0.312909  1
  Ta  Ta5  1  0.529770  0.052253  0.332085  1
  Ta  Ta6  1  0.211907  0.416768  0.293815  1
  Ta  Ta7  1  0.872373  0.738522  0.312909  1
  Ta  Ta8  1  0.029770  0.052253  0.332085  1
  Ta  Ta9  1  0.711907  0.416768  0.293815  1
  Ta  Ta10  1  0.711907  0.916768  0.293815  1
  Ta  Ta11  1  0.872373  0.238522  0.312909  1
  Ta  Ta12  1  0.029770  0.552253  0.332085  1
  Ta  Ta13  1  0.687660  0.868260  0.354058  1
  Ta  Ta14  1  0.845290  0.183262  0.374385  1
  Ta  Ta15  1  1.003689  0.499919  0.395402  1
  Ta  Ta16  1  0.845290  0.683262  0.374385  1
  Ta  Ta17  1  1.003689  -0.000081  0.395402  1
  Ta  Ta18  1  0.687660  0.368260  0.354058  1
  Ta  Ta19  1  0.345290  0.683262  0.374385  1
  Ta  Ta20  1  0.503689  -0.000081  0.395402  1
  Ta  Ta21  1  0.187660  0.368260  0.354058  1
  Ta  Ta22  1  0.187660  0.868260  0.354058  1
  Ta  Ta23  1  0.345290  0.183262  0.374385  1
  Ta  Ta24  1  0.503689  0.499919  0.395402  1
  Ta  Ta25  1  0.161442  0.815293  0.416437  1
  Ta  Ta26  1  0.319517  0.131282  0.437312  1
  Ta  Ta27  1  0.477513  0.447134  0.458228  1
  Ta  Ta28  1  0.319517  0.631282  0.437312  1
  Ta  Ta29  1  0.477513  0.947134  0.458228  1
  Ta  Ta30  1  0.161442  0.315293  0.416437  1
  Ta  Ta31  1  0.819517  0.631282  0.437312  1
  Ta  Ta32  1  0.977513  0.947134  0.458228  1
  Ta  Ta33  1  0.661442  0.315293  0.416437  1
  Ta  Ta34  1  0.661442  0.815293  0.416437  1
  Ta  Ta35  1  0.819517  0.131282  0.437312  1
  Ta  Ta36  1  0.977513  0.447134  0.458228  1
  Ta  Ta37  1  0.635492  0.762947  0.479189  1
  Ta  Ta38  1  0.793490  0.078797  0.500104  1
  Ta  Ta39  1  0.951487  0.394647  0.521018  1
  Ta  Ta40  1  0.793490  0.578797  0.500104  1
  Ta  Ta41  1  0.951487  0.894647  0.521018  1
  Ta  Ta42  1  0.635492  0.262947  0.479189  1
  Ta  Ta43  1  0.293490  0.578797  0.500104  1
  Ta  Ta44  1  0.451487  0.894647  0.521018  1
  Ta  Ta45  1  0.135492  0.262947  0.479189  1
  Ta  Ta46  1  0.135492  0.762947  0.479189  1
  Ta  Ta47  1  0.293490  0.078797  0.500104  1
  Ta  Ta48  1  0.451487  0.394647  0.521018  1
  Ta  Ta49  1  0.109467  0.710461  0.541979  1
  Ta  Ta50  1  0.267462  0.026312  0.562895  1
  Ta  Ta51  1  0.425537  0.342301  0.583770  1
  Ta  Ta52  1  0.267462  0.526312  0.562895  1
  Ta  Ta53  1  0.425537  0.842301  0.583770  1
  Ta  Ta54  1  0.109467  0.210461  0.541979  1
  Ta  Ta55  1  0.767462  0.526312  0.562895  1
  Ta  Ta56  1  0.925537  0.842301  0.583770  1
  Ta  Ta57  1  0.609467  0.210461  0.541979  1
  Ta  Ta58  1  0.609467  0.710461  0.541979  1
  Ta  Ta59  1  0.767462  0.026312  0.562895  1
  Ta  Ta60  1  0.925537  0.342301  0.583770  1
  Ta  Ta61  1  0.583291  0.657676  0.604805  1
  Ta  Ta62  1  0.741690  0.974332  0.625822  1
  Ta  Ta63  1  0.899320  0.289335  0.646149  1
  Ta  Ta64  1  0.741690  0.474332  0.625822  1
  Ta  Ta65  1  0.899320  0.789335  0.646149  1
  Ta  Ta66  1  0.583291  0.157676  0.604805  1
  Ta  Ta67  1  0.241690  0.474332  0.625822  1
  Ta  Ta68  1  0.399320  0.789335  0.646149  1
  Ta  Ta69  1  0.083291  0.157676  0.604805  1
  Ta  Ta70  1  0.083291  0.657676  0.604805  1
  Ta  Ta71  1  0.241690  0.974332  0.625822  1
  Ta  Ta72  1  0.399320  0.289335  0.646149  1
  Ta  Ta73  1  0.057210  0.605341  0.668122  1
  Ta  Ta74  1  0.214606  0.919072  0.687298  1
  Ta  Ta75  1  0.375073  0.240826  0.706392  1
  Ta  Ta76  1  0.214606  0.419072  0.687298  1
  Ta  Ta77  1  0.375073  0.740826  0.706392  1
  Ta  Ta78  1  0.057210  0.105341  0.668122  1
  Ta  Ta79  1  0.714606  0.419072  0.687298  1
  Ta  Ta80  1  0.875073  0.740826  0.706392  1
  Ta  Ta81  1  0.557210  0.105341  0.668122  1
  Ta  Ta82  1  0.557210  0.605341  0.668122  1
  Ta  Ta83  1  0.714606  0.919072  0.687298  1
  Ta  Ta84  1  0.875073  0.240826  0.706392  1
