# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82464522
_cell_length_b   4.81055019
_cell_length_c   53.42270348
_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   Ta44
_cell_volume   2010.8758927
_cell_formula_units_Z   44
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  0.944731  0.501823  0.309336  1
  Ta  Ta2  1  0.488629  0.001823  0.408415  1
  Ta  Ta3  1  0.231653  0.501823  0.349799  1
  Ta  Ta4  1  0.741293  0.501823  0.471937  1
  Ta  Ta5  1  0.569344  0.001823  0.463654  1
  Ta  Ta6  1  0.420747  0.001823  0.352282  1
  Ta  Ta7  1  0.069574  0.501823  0.454329  1
  Ta  Ta8  1  0.895585  0.501823  0.359206  1
  Ta  Ta9  1  0.750519  0.001823  0.373779  1
  Ta  Ta10  1  0.241400  0.001823  0.445936  1
  Ta  Ta11  1  0.587514  0.501823  0.330532  1
  Ta  Ta12  1  0.384025  0.501823  0.486968  1
  Ta  Ta13  1  0.301115  0.001823  0.506307  1
  Ta  Ta14  1  0.741902  0.001823  0.319706  1
  Ta  Ta15  1  0.805038  0.501823  0.410872  1
  Ta  Ta16  1  0.180334  0.501823  0.406024  1
  Ta  Ta17  1  0.100967  0.001823  0.386076  1
  Ta  Ta18  1  0.883728  0.001823  0.431104  1
  Ta  Ta19  1  0.524018  0.501823  0.380901  1
  Ta  Ta20  1  0.462915  0.501823  0.436493  1
  Ta  Ta21  1  0.067339  0.001823  0.333795  1
  Ta  Ta22  1  0.960949  0.001823  0.481362  1
  Ta  Ta23  1  0.991674  0.501823  0.509243  1
  Ta  Ta24  1  0.494522  0.001823  0.610114  1
  Ta  Ta25  1  0.241635  0.501823  0.546669  1
  Ta  Ta26  1  0.753190  0.501823  0.667077  1
  Ta  Ta27  1  0.565508  0.001823  0.666085  1
  Ta  Ta28  1  0.413892  0.001823  0.554855  1
  Ta  Ta29  1  0.090419  0.501823  0.660902  1
  Ta  Ta30  1  0.913552  0.501823  0.564114  1
  Ta  Ta31  1  0.741614  0.001823  0.572611  1
  Ta  Ta32  1  0.232447  0.001823  0.644774  1
  Ta  Ta33  1  0.599003  0.501823  0.531595  1
  Ta  Ta34  1  0.404701  0.501823  0.687982  1
  Ta  Ta35  1  0.245123  0.001823  0.697780  1
  Ta  Ta36  1  0.681957  0.001823  0.512222  1
  Ta  Ta37  1  0.802861  0.501823  0.612262  1
  Ta  Ta38  1  0.175351  0.501823  0.608257  1
  Ta  Ta39  1  0.099971  0.001823  0.587402  1
  Ta  Ta40  1  0.883973  0.001823  0.632424  1
  Ta  Ta41  1  0.518489  0.501823  0.582088  1
  Ta  Ta42  1  0.457722  0.501823  0.637539  1
  Ta  Ta43  1  0.022062  0.001823  0.537154  1
  Ta  Ta44  1  0.919585  0.001823  0.684482  1
