# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90590868
_cell_length_b   5.90590868
_cell_length_c   48.69164515
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta36
_cell_volume   1470.81664235
_cell_formula_units_Z   36
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  0.504994  0.503329  0.299220  1
  Ta  Ta2  1  0.504994  1.003329  0.299220  1
  Ta  Ta3  1  0.004994  1.003329  0.299220  1
  Ta  Ta4  1  0.004994  0.503329  0.299220  1
  Ta  Ta5  1  0.838327  0.169996  0.347830  1
  Ta  Ta6  1  0.838327  0.669996  0.347830  1
  Ta  Ta7  1  0.338327  0.669996  0.347830  1
  Ta  Ta8  1  0.338327  0.169996  0.347830  1
  Ta  Ta9  1  0.171661  0.836663  0.398035  1
  Ta  Ta10  1  0.171661  0.336663  0.398035  1
  Ta  Ta11  1  0.671661  0.336663  0.398035  1
  Ta  Ta12  1  0.671661  0.836663  0.398035  1
  Ta  Ta13  1  0.504994  0.503329  0.448253  1
  Ta  Ta14  1  0.504994  1.003329  0.448253  1
  Ta  Ta15  1  0.004994  1.003329  0.448253  1
  Ta  Ta16  1  0.004994  0.503329  0.448253  1
  Ta  Ta17  1  0.838327  0.169996  0.498470  1
  Ta  Ta18  1  0.838327  0.669996  0.498470  1
  Ta  Ta19  1  0.338327  0.669996  0.498470  1
  Ta  Ta20  1  0.338327  0.169996  0.498470  1
  Ta  Ta21  1  0.171661  0.836663  0.548687  1
  Ta  Ta22  1  0.171661  0.336663  0.548687  1
  Ta  Ta23  1  0.671661  0.336663  0.548687  1
  Ta  Ta24  1  0.671661  0.836663  0.548687  1
  Ta  Ta25  1  0.504994  0.503329  0.598905  1
  Ta  Ta26  1  0.504994  1.003329  0.598905  1
  Ta  Ta27  1  0.004994  1.003329  0.598905  1
  Ta  Ta28  1  0.004994  0.503329  0.598905  1
  Ta  Ta29  1  0.838327  0.169996  0.649109  1
  Ta  Ta30  1  0.838327  0.669996  0.649109  1
  Ta  Ta31  1  0.338327  0.669996  0.649109  1
  Ta  Ta32  1  0.338327  0.169996  0.649109  1
  Ta  Ta33  1  0.171661  0.836663  0.697719  1
  Ta  Ta34  1  0.171661  0.336663  0.697719  1
  Ta  Ta35  1  0.671661  0.336663  0.697719  1
  Ta  Ta36  1  0.671661  0.836663  0.697719  1
