# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23083891
_cell_length_b   7.35572599
_cell_length_c   47.52618170
_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   Ta28
_cell_volume   1129.46758563
_cell_formula_units_Z   28
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  0.511322  0.181012  0.334203  1
  Ta  Ta2  1  0.511322  0.790357  0.303130  1
  Ta  Ta3  1  0.011322  0.477174  0.316718  1
  Ta  Ta4  1  0.011322  0.095631  0.290070  1
  Ta  Ta5  1  0.511322  0.980980  0.395004  1
  Ta  Ta6  1  0.511322  0.582143  0.362393  1
  Ta  Ta7  1  0.011322  0.284326  0.379258  1
  Ta  Ta8  1  0.011322  0.881216  0.347648  1
  Ta  Ta9  1  0.511322  0.778486  0.457908  1
  Ta  Ta10  1  0.511322  0.380492  0.426544  1
  Ta  Ta11  1  0.011322  0.079428  0.442297  1
  Ta  Ta12  1  0.011322  0.680103  0.410416  1
  Ta  Ta13  1  0.511322  0.576189  0.521081  1
  Ta  Ta14  1  0.511322  0.177586  0.489614  1
  Ta  Ta15  1  0.011322  0.876797  0.505269  1
  Ta  Ta16  1  0.011322  0.478194  0.473802  1
  Ta  Ta17  1  0.511322  0.374280  0.584468  1
  Ta  Ta18  1  0.511322  0.974956  0.552586  1
  Ta  Ta19  1  0.011322  0.673891  0.568339  1
  Ta  Ta20  1  0.011322  0.275897  0.536975  1
  Ta  Ta21  1  0.511322  0.173167  0.647235  1
  Ta  Ta22  1  0.511322  0.770058  0.615625  1
  Ta  Ta23  1  0.011322  0.472241  0.632491  1
  Ta  Ta24  1  0.011322  0.073404  0.599880  1
  Ta  Ta25  1  0.511322  0.958752  0.704813  1
  Ta  Ta26  1  0.511322  0.577209  0.678165  1
  Ta  Ta27  1  0.011322  0.264027  0.691753  1
  Ta  Ta28  1  0.011322  0.873371  0.660680  1
