# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.22876509
_cell_length_b   13.22048118
_cell_length_c   49.56161595
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta216
_cell_volume   8624.41451899
_cell_formula_units_Z   216
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  0.110337  0.444395  0.331563  1
  Ta  Ta2  1  0.443671  0.111062  0.331563  1
  Ta  Ta3  1  0.503276  0.504029  0.282901  1
  Ta  Ta4  1  0.777004  0.777728  0.331563  1
  Ta  Ta5  1  0.836610  0.170696  0.282901  1
  Ta  Ta6  1  0.806968  0.474310  0.305373  1
  Ta  Ta7  1  0.169943  0.837362  0.282901  1
  Ta  Ta8  1  0.140302  0.140977  0.305373  1
  Ta  Ta9  1  0.473635  0.807643  0.305373  1
  Ta  Ta10  1  0.973635  0.307643  0.305373  1
  Ta  Ta11  1  0.306968  0.974310  0.305373  1
  Ta  Ta12  1  0.277004  0.277728  0.331563  1
  Ta  Ta13  1  0.640302  0.640977  0.305373  1
  Ta  Ta14  1  0.610337  0.944395  0.331563  1
  Ta  Ta15  1  0.669943  0.337362  0.282901  1
  Ta  Ta16  1  0.943671  0.611062  0.331563  1
  Ta  Ta17  1  0.003276  0.004029  0.282901  1
  Ta  Ta18  1  0.336610  0.670696  0.282901  1
  Ta  Ta19  1  0.169943  0.337362  0.282901  1
  Ta  Ta20  1  0.503276  0.004029  0.282901  1
  Ta  Ta21  1  0.473635  0.307643  0.305373  1
  Ta  Ta22  1  0.836610  0.670696  0.282901  1
  Ta  Ta23  1  0.806968  0.974310  0.305373  1
  Ta  Ta24  1  0.777004  0.277728  0.331563  1
  Ta  Ta25  1  0.140302  0.640977  0.305373  1
  Ta  Ta26  1  0.110337  0.944395  0.331563  1
  Ta  Ta27  1  0.443671  0.611062  0.331563  1
  Ta  Ta28  1  0.003276  0.504029  0.282901  1
  Ta  Ta29  1  0.336610  0.170696  0.282901  1
  Ta  Ta30  1  0.306968  0.474310  0.305373  1
  Ta  Ta31  1  0.669943  0.837362  0.282901  1
  Ta  Ta32  1  0.640302  0.140977  0.305373  1
  Ta  Ta33  1  0.610337  0.444395  0.331563  1
  Ta  Ta34  1  0.973635  0.807643  0.305373  1
  Ta  Ta35  1  0.943671  0.111062  0.331563  1
  Ta  Ta36  1  0.277004  0.777728  0.331563  1
  Ta  Ta37  1  0.018354  0.352340  0.408485  1
  Ta  Ta38  1  0.351687  0.019006  0.408485  1
  Ta  Ta39  1  0.412854  0.413535  0.356838  1
  Ta  Ta40  1  0.685020  0.685673  0.408485  1
  Ta  Ta41  1  0.746187  0.080202  0.356838  1
  Ta  Ta42  1  0.715707  0.383044  0.382896  1
  Ta  Ta43  1  0.079521  0.746868  0.356838  1
  Ta  Ta44  1  0.049040  0.049711  0.382896  1
  Ta  Ta45  1  0.382374  0.716378  0.382896  1
  Ta  Ta46  1  0.882374  0.216378  0.382896  1
  Ta  Ta47  1  0.215707  0.883044  0.382896  1
  Ta  Ta48  1  0.185020  0.185673  0.408485  1
  Ta  Ta49  1  0.549040  0.549711  0.382896  1
  Ta  Ta50  1  0.518354  0.852340  0.408485  1
  Ta  Ta51  1  0.579521  0.246868  0.356838  1
  Ta  Ta52  1  0.851687  0.519006  0.408485  1
  Ta  Ta53  1  0.912854  0.913535  0.356838  1
  Ta  Ta54  1  0.246187  0.580202  0.356838  1
  Ta  Ta55  1  0.079521  0.246868  0.356838  1
  Ta  Ta56  1  0.412854  0.913535  0.356838  1
  Ta  Ta57  1  0.382374  0.216378  0.382896  1
  Ta  Ta58  1  0.746187  0.580202  0.356838  1
  Ta  Ta59  1  0.715707  0.883044  0.382896  1
  Ta  Ta60  1  0.685020  0.185673  0.408485  1
  Ta  Ta61  1  0.049040  0.549711  0.382896  1
  Ta  Ta62  1  0.018354  0.852340  0.408485  1
  Ta  Ta63  1  0.351687  0.519006  0.408485  1
  Ta  Ta64  1  0.912854  0.413535  0.356838  1
  Ta  Ta65  1  0.246187  0.080202  0.356838  1
  Ta  Ta66  1  0.215707  0.383044  0.382896  1
  Ta  Ta67  1  0.579521  0.746868  0.356838  1
  Ta  Ta68  1  0.549040  0.049711  0.382896  1
  Ta  Ta69  1  0.518354  0.352340  0.408485  1
  Ta  Ta70  1  0.882374  0.716378  0.382896  1
  Ta  Ta71  1  0.851687  0.019006  0.408485  1
  Ta  Ta72  1  0.185020  0.685673  0.408485  1
  Ta  Ta73  1  0.926591  0.260525  0.485853  1
  Ta  Ta74  1  0.259925  0.927192  0.485853  1
  Ta  Ta75  1  0.321141  0.321776  0.434351  1
  Ta  Ta76  1  0.593258  0.593859  0.485853  1
  Ta  Ta77  1  0.654474  0.988443  0.434351  1
  Ta  Ta78  1  0.623833  0.291119  0.460039  1
  Ta  Ta79  1  0.987808  0.655110  0.434351  1
  Ta  Ta80  1  0.957166  0.957785  0.460039  1
  Ta  Ta81  1  0.290500  0.624452  0.460039  1
  Ta  Ta82  1  0.790500  0.124452  0.460039  1
  Ta  Ta83  1  0.123833  0.791119  0.460039  1
  Ta  Ta84  1  0.093258  0.093859  0.485853  1
  Ta  Ta85  1  0.457166  0.457785  0.460039  1
  Ta  Ta86  1  0.426591  0.760525  0.485853  1
  Ta  Ta87  1  0.487808  0.155110  0.434351  1
  Ta  Ta88  1  0.759925  0.427192  0.485853  1
  Ta  Ta89  1  0.821141  0.821776  0.434351  1
  Ta  Ta90  1  0.154474  0.488443  0.434351  1
  Ta  Ta91  1  0.987808  0.155110  0.434351  1
  Ta  Ta92  1  0.321141  0.821776  0.434351  1
  Ta  Ta93  1  0.290500  0.124452  0.460039  1
  Ta  Ta94  1  0.654474  0.488443  0.434351  1
  Ta  Ta95  1  0.623833  0.791119  0.460039  1
  Ta  Ta96  1  0.593258  0.093859  0.485853  1
  Ta  Ta97  1  0.957166  0.457785  0.460039  1
  Ta  Ta98  1  0.926591  0.760525  0.485853  1
  Ta  Ta99  1  0.259925  0.427192  0.485853  1
  Ta  Ta100  1  0.821141  0.321776  0.434351  1
  Ta  Ta101  1  0.154474  0.988443  0.434351  1
  Ta  Ta102  1  0.123833  0.291119  0.460039  1
  Ta  Ta103  1  0.487808  0.655110  0.434351  1
  Ta  Ta104  1  0.457166  0.957785  0.460039  1
  Ta  Ta105  1  0.426591  0.260525  0.485853  1
  Ta  Ta106  1  0.790500  0.624452  0.460039  1
  Ta  Ta107  1  0.759925  0.927192  0.485853  1
  Ta  Ta108  1  0.093258  0.593859  0.485853  1
  Ta  Ta109  1  0.834746  0.168629  0.563066  1
  Ta  Ta110  1  0.168079  0.835296  0.563066  1
  Ta  Ta111  1  0.229296  0.229880  0.511564  1
  Ta  Ta112  1  0.501413  0.501963  0.563066  1
  Ta  Ta113  1  0.562629  0.896547  0.511564  1
  Ta  Ta114  1  0.532054  0.199287  0.537378  1
  Ta  Ta115  1  0.895963  0.563214  0.511564  1
  Ta  Ta116  1  0.865387  0.865954  0.537378  1
  Ta  Ta117  1  0.198721  0.532620  0.537378  1
  Ta  Ta118  1  0.698721  0.032620  0.537378  1
  Ta  Ta119  1  0.032054  0.699287  0.537378  1
  Ta  Ta120  1  1.001413  1.001963  0.563066  1
  Ta  Ta121  1  0.365387  0.365954  0.537378  1
  Ta  Ta122  1  0.334746  0.668629  0.563066  1
  Ta  Ta123  1  0.395963  0.063214  0.511564  1
  Ta  Ta124  1  0.668079  0.335296  0.563066  1
  Ta  Ta125  1  0.729296  0.729880  0.511564  1
  Ta  Ta126  1  0.062629  0.396547  0.511564  1
  Ta  Ta127  1  0.895963  0.063214  0.511564  1
  Ta  Ta128  1  0.229296  0.729880  0.511564  1
  Ta  Ta129  1  0.198721  0.032620  0.537378  1
  Ta  Ta130  1  0.562629  0.396547  0.511564  1
  Ta  Ta131  1  0.532054  0.699287  0.537378  1
  Ta  Ta132  1  0.501413  1.001963  0.563066  1
  Ta  Ta133  1  0.865387  0.365954  0.537378  1
  Ta  Ta134  1  0.834746  0.668629  0.563066  1
  Ta  Ta135  1  0.168079  0.335296  0.563066  1
  Ta  Ta136  1  0.729296  0.229880  0.511564  1
  Ta  Ta137  1  0.062629  0.896547  0.511564  1
  Ta  Ta138  1  0.032054  0.199287  0.537378  1
  Ta  Ta139  1  0.395963  0.563214  0.511564  1
  Ta  Ta140  1  0.365387  0.865954  0.537378  1
  Ta  Ta141  1  0.334746  0.168629  0.563066  1
  Ta  Ta142  1  0.698721  0.532620  0.537378  1
  Ta  Ta143  1  0.668079  0.835296  0.563066  1
  Ta  Ta144  1  1.001413  0.501963  0.563066  1
  Ta  Ta145  1  0.743033  0.076871  0.640579  1
  Ta  Ta146  1  0.076366  0.743537  0.640579  1
  Ta  Ta147  1  0.137534  0.138066  0.588932  1
  Ta  Ta148  1  0.409700  0.410204  0.640579  1
  Ta  Ta149  1  0.470867  0.804733  0.588932  1
  Ta  Ta150  1  0.440180  0.107361  0.614521  1
  Ta  Ta151  1  0.804200  0.471399  0.588932  1
  Ta  Ta152  1  0.773514  0.774028  0.614521  1
  Ta  Ta153  1  0.106847  0.440694  0.614521  1
  Ta  Ta154  1  0.606847  0.940694  0.614521  1
  Ta  Ta155  1  0.940180  0.607361  0.614521  1
  Ta  Ta156  1  0.909700  0.910204  0.640579  1
  Ta  Ta157  1  0.273514  0.274028  0.614521  1
  Ta  Ta158  1  0.243033  0.576871  0.640579  1
  Ta  Ta159  1  0.304200  0.971399  0.588932  1
  Ta  Ta160  1  0.576366  0.243537  0.640579  1
  Ta  Ta161  1  0.637534  0.638066  0.588932  1
  Ta  Ta162  1  0.970867  0.304733  0.588932  1
  Ta  Ta163  1  0.804200  0.971399  0.588932  1
  Ta  Ta164  1  0.137534  0.638066  0.588932  1
  Ta  Ta165  1  0.106847  0.940694  0.614521  1
  Ta  Ta166  1  0.470867  0.304733  0.588932  1
  Ta  Ta167  1  0.440180  0.607361  0.614521  1
  Ta  Ta168  1  0.409700  0.910204  0.640579  1
  Ta  Ta169  1  0.773514  0.274028  0.614521  1
  Ta  Ta170  1  0.743033  0.576871  0.640579  1
  Ta  Ta171  1  0.076366  0.243537  0.640579  1
  Ta  Ta172  1  0.637534  0.138066  0.588932  1
  Ta  Ta173  1  0.970867  0.804733  0.588932  1
  Ta  Ta174  1  0.940180  0.107361  0.614521  1
  Ta  Ta175  1  0.304200  0.471399  0.588932  1
  Ta  Ta176  1  0.273514  0.774028  0.614521  1
  Ta  Ta177  1  0.243033  0.076871  0.640579  1
  Ta  Ta178  1  0.606847  0.440694  0.614521  1
  Ta  Ta179  1  0.576366  0.743537  0.640579  1
  Ta  Ta180  1  0.909700  0.410204  0.640579  1
  Ta  Ta181  1  0.652611  0.986376  0.714516  1
  Ta  Ta182  1  0.985944  0.653043  0.714516  1
  Ta  Ta183  1  0.045550  0.046011  0.665854  1
  Ta  Ta184  1  0.319277  0.319710  0.714516  1
  Ta  Ta185  1  0.378883  0.712677  0.665854  1
  Ta  Ta186  1  0.348919  0.016095  0.692044  1
  Ta  Ta187  1  0.712217  0.379344  0.665854  1
  Ta  Ta188  1  0.682252  0.682762  0.692044  1
  Ta  Ta189  1  0.015586  0.349429  0.692044  1
  Ta  Ta190  1  0.515586  0.849429  0.692044  1
  Ta  Ta191  1  0.848919  0.516095  0.692044  1
  Ta  Ta192  1  0.819277  0.819710  0.714516  1
  Ta  Ta193  1  0.182252  0.182762  0.692044  1
  Ta  Ta194  1  0.152611  0.486376  0.714516  1
  Ta  Ta195  1  0.212217  0.879344  0.665854  1
  Ta  Ta196  1  0.485944  0.153043  0.714516  1
  Ta  Ta197  1  0.545550  0.546011  0.665854  1
  Ta  Ta198  1  0.878883  0.212677  0.665854  1
  Ta  Ta199  1  0.712217  0.879344  0.665854  1
  Ta  Ta200  1  0.045550  0.546011  0.665854  1
  Ta  Ta201  1  0.015586  0.849429  0.692044  1
  Ta  Ta202  1  0.378883  0.212677  0.665854  1
  Ta  Ta203  1  0.348919  0.516095  0.692044  1
  Ta  Ta204  1  0.319277  0.819710  0.714516  1
  Ta  Ta205  1  0.682252  0.182762  0.692044  1
  Ta  Ta206  1  0.652611  0.486376  0.714516  1
  Ta  Ta207  1  0.985944  0.153043  0.714516  1
  Ta  Ta208  1  0.545550  0.046011  0.665854  1
  Ta  Ta209  1  0.878883  0.712677  0.665854  1
  Ta  Ta210  1  0.848919  0.016095  0.692044  1
  Ta  Ta211  1  0.212217  0.379344  0.665854  1
  Ta  Ta212  1  0.182252  0.682762  0.692044  1
  Ta  Ta213  1  0.152611  0.986376  0.714516  1
  Ta  Ta214  1  0.515586  0.349429  0.692044  1
  Ta  Ta215  1  0.485944  0.653043  0.714516  1
  Ta  Ta216  1  0.819277  0.319710  0.714516  1
