# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26367884
_cell_length_b   4.69989436
_cell_length_c   46.81405625
_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   Ta18
_cell_volume   718.078271914
_cell_formula_units_Z   18
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  0.505968  0.496887  0.299069  1
  Ta  Ta2  1  1.005968  0.996887  0.299069  1
  Ta  Ta3  1  0.505968  0.996887  0.348652  1
  Ta  Ta4  1  1.005968  0.496887  0.348652  1
  Ta  Ta5  1  0.505968  0.496887  0.398732  1
  Ta  Ta6  1  1.005968  0.996887  0.398732  1
  Ta  Ta7  1  0.505968  0.996887  0.448790  1
  Ta  Ta8  1  1.005968  0.496887  0.448790  1
  Ta  Ta9  1  0.505968  0.496887  0.498849  1
  Ta  Ta10  1  0.005968  0.996887  0.498849  1
  Ta  Ta11  1  0.505968  0.996887  0.548908  1
  Ta  Ta12  1  1.005968  0.496887  0.548908  1
  Ta  Ta13  1  0.505968  0.496887  0.598966  1
  Ta  Ta14  1  1.005968  0.996887  0.598966  1
  Ta  Ta15  1  0.505968  0.996887  0.649046  1
  Ta  Ta16  1  0.005968  0.496887  0.649046  1
  Ta  Ta17  1  0.505968  0.496887  0.698629  1
  Ta  Ta18  1  1.005968  0.996887  0.698629  1
