# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18618148
_cell_length_b   13.20214798
_cell_length_c   52.02992149
_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   Ta72
_cell_volume   2875.51619824
_cell_formula_units_Z   72
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  0.502118  0.056463  0.343258  1
  Ta  Ta2  1  0.502118  0.757803  0.318742  1
  Ta  Ta3  1  0.502118  0.455191  0.292799  1
  Ta  Ta4  1  0.002118  0.308160  0.282755  1
  Ta  Ta5  1  0.002118  0.907998  0.330771  1
  Ta  Ta6  1  0.002118  0.604950  0.305350  1
  Ta  Ta7  1  0.002118  0.105853  0.305354  1
  Ta  Ta8  1  0.002118  0.804303  0.281589  1
  Ta  Ta9  1  0.002118  0.406617  0.331120  1
  Ta  Ta10  1  0.502118  0.255169  0.317663  1
  Ta  Ta11  1  0.502118  0.954321  0.294025  1
  Ta  Ta12  1  0.502118  0.658895  0.270518  1
  Ta  Ta13  1  0.502118  0.955112  0.421037  1
  Ta  Ta14  1  0.502118  0.655477  0.395292  1
  Ta  Ta15  1  0.502118  0.355176  0.369411  1
  Ta  Ta16  1  0.002118  0.205297  0.356238  1
  Ta  Ta17  1  0.002118  0.805348  0.408204  1
  Ta  Ta18  1  0.002118  0.505544  0.382448  1
  Ta  Ta19  1  0.002118  0.005872  0.382287  1
  Ta  Ta20  1  0.002118  0.706317  0.356792  1
  Ta  Ta21  1  0.002118  0.304743  0.407958  1
  Ta  Ta22  1  0.502118  0.155109  0.395050  1
  Ta  Ta23  1  0.502118  0.856602  0.369642  1
  Ta  Ta24  1  0.502118  0.555804  0.343770  1
  Ta  Ta25  1  0.502118  0.853570  0.498312  1
  Ta  Ta26  1  0.502118  0.553900  0.472471  1
  Ta  Ta27  1  0.502118  0.254280  0.446627  1
  Ta  Ta28  1  0.002118  0.104678  0.433805  1
  Ta  Ta29  1  0.002118  0.703774  0.485409  1
  Ta  Ta30  1  0.002118  0.404033  0.459527  1
  Ta  Ta31  1  0.002118  0.904288  0.459676  1
  Ta  Ta32  1  0.002118  0.604685  0.433895  1
  Ta  Ta33  1  0.002118  0.203669  0.485308  1
  Ta  Ta34  1  0.502118  0.054001  0.472499  1
  Ta  Ta35  1  0.502118  0.754507  0.446799  1
  Ta  Ta36  1  0.502118  0.454697  0.420943  1
  Ta  Ta37  1  0.502118  0.752257  0.575530  1
  Ta  Ta38  1  0.502118  0.452446  0.549674  1
  Ta  Ta39  1  0.502118  0.152952  0.523974  1
  Ta  Ta40  1  0.002118  1.003284  0.511165  1
  Ta  Ta41  1  0.002118  0.602269  0.562578  1
  Ta  Ta42  1  0.002118  0.302666  0.536797  1
  Ta  Ta43  1  0.002118  0.802920  0.536945  1
  Ta  Ta44  1  0.002118  0.503180  0.511064  1
  Ta  Ta45  1  0.002118  0.102275  0.562668  1
  Ta  Ta46  1  0.502118  0.952673  0.549846  1
  Ta  Ta47  1  0.502118  0.653053  0.524002  1
  Ta  Ta48  1  0.502118  0.353384  0.498160  1
  Ta  Ta49  1  0.502118  0.651149  0.652702  1
  Ta  Ta50  1  0.502118  0.350351  0.626831  1
  Ta  Ta51  1  0.502118  0.051845  0.601423  1
  Ta  Ta52  1  0.002118  0.902210  0.588515  1
  Ta  Ta53  1  0.002118  0.500637  0.639681  1
  Ta  Ta54  1  0.002118  0.201082  0.614186  1
  Ta  Ta55  1  0.002118  0.701409  0.614025  1
  Ta  Ta56  1  0.002118  0.401605  0.588269  1
  Ta  Ta57  1  0.002118  1.001656  0.640235  1
  Ta  Ta58  1  0.502118  0.851777  0.627061  1
  Ta  Ta59  1  0.502118  0.551476  0.601181  1
  Ta  Ta60  1  0.502118  0.251842  0.575436  1
  Ta  Ta61  1  0.502118  0.548058  0.725955  1
  Ta  Ta62  1  0.502118  0.252633  0.702447  1
  Ta  Ta63  1  0.502118  0.951784  0.678810  1
  Ta  Ta64  1  0.002118  0.800336  0.665353  1
  Ta  Ta65  1  0.002118  0.402651  0.714883  1
  Ta  Ta66  1  0.002118  0.101100  0.691119  1
  Ta  Ta67  1  0.002118  0.602004  0.691122  1
  Ta  Ta68  1  0.002118  0.298956  0.665702  1
  Ta  Ta69  1  0.002118  0.898793  0.713717  1
  Ta  Ta70  1  0.502118  0.751762  0.703674  1
  Ta  Ta71  1  0.502118  0.449150  0.677731  1
  Ta  Ta72  1  0.502118  0.150491  0.653215  1
