# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91777557
_cell_length_b   8.63863615
_cell_length_c   47.02208410
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta96
_cell_volume   3947.27104929
_cell_formula_units_Z   96
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  0.599077  0.187983  0.348528  1
  Ta  Ta2  1  0.099077  0.687983  0.348528  1
  Ta  Ta3  1  0.173360  0.321293  0.313141  1
  Ta  Ta4  1  0.673360  0.821293  0.313141  1
  Ta  Ta5  1  0.849077  0.937983  0.348528  1
  Ta  Ta6  1  0.349077  0.437983  0.348528  1
  Ta  Ta7  1  0.423360  0.071293  0.313141  1
  Ta  Ta8  1  0.923360  0.571293  0.313141  1
  Ta  Ta9  1  0.699109  0.132722  0.296760  1
  Ta  Ta10  1  0.199109  0.632722  0.296760  1
  Ta  Ta11  1  0.152654  0.982519  0.328112  1
  Ta  Ta12  1  0.652654  0.482519  0.328112  1
  Ta  Ta13  1  0.902654  0.232519  0.328112  1
  Ta  Ta14  1  0.402654  0.732519  0.328112  1
  Ta  Ta15  1  0.449109  0.382722  0.296760  1
  Ta  Ta16  1  0.949109  0.882722  0.296760  1
  Ta  Ta17  1  0.455108  0.923937  0.421481  1
  Ta  Ta18  1  0.955108  0.423937  0.421481  1
  Ta  Ta19  1  0.034039  0.052502  0.383075  1
  Ta  Ta20  1  0.534039  0.552502  0.383075  1
  Ta  Ta21  1  0.705108  0.673937  0.421481  1
  Ta  Ta22  1  0.205108  0.173937  0.421481  1
  Ta  Ta23  1  0.284039  0.802502  0.383075  1
  Ta  Ta24  1  0.784039  0.302502  0.383075  1
  Ta  Ta25  1  0.559400  0.877577  0.365630  1
  Ta  Ta26  1  0.059400  0.377577  0.365630  1
  Ta  Ta27  1  -0.008407  0.740196  0.403148  1
  Ta  Ta28  1  0.491593  0.240196  0.403148  1
  Ta  Ta29  1  0.741593  0.990196  0.403148  1
  Ta  Ta30  1  0.241593  0.490196  0.403148  1
  Ta  Ta31  1  0.309400  0.127577  0.365630  1
  Ta  Ta32  1  0.809400  0.627577  0.365630  1
  Ta  Ta33  1  0.313844  0.654090  0.495671  1
  Ta  Ta34  1  0.813844  0.154090  0.495671  1
  Ta  Ta35  1  0.884434  0.789015  0.458754  1
  Ta  Ta36  1  0.384434  0.289015  0.458754  1
  Ta  Ta37  1  0.563844  0.404090  0.495671  1
  Ta  Ta38  1  0.063844  0.904090  0.495671  1
  Ta  Ta39  1  0.134434  0.539015  0.458754  1
  Ta  Ta40  1  0.634434  0.039015  0.458754  1
  Ta  Ta41  1  0.422651  0.604210  0.439690  1
  Ta  Ta42  1  0.922651  0.104210  0.439690  1
  Ta  Ta43  1  0.848693  0.471900  0.477229  1
  Ta  Ta44  1  0.348693  0.971900  0.477229  1
  Ta  Ta45  1  0.598693  0.721900  0.477229  1
  Ta  Ta46  1  0.098693  0.221900  0.477229  1
  Ta  Ta47  1  0.172651  0.854210  0.439690  1
  Ta  Ta48  1  0.672651  0.354210  0.439690  1
  Ta  Ta49  1  0.167763  0.388117  0.570529  1
  Ta  Ta50  1  0.667763  0.888117  0.570529  1
  Ta  Ta51  1  0.741720  0.520427  0.532990  1
  Ta  Ta52  1  0.241720  1.020427  0.532990  1
  Ta  Ta53  1  0.417763  0.138117  0.570529  1
  Ta  Ta54  1  0.917763  0.638117  0.570529  1
  Ta  Ta55  1  -0.008280  0.270427  0.532990  1
  Ta  Ta56  1  0.491720  0.770427  0.532990  1
  Ta  Ta57  1  0.276570  0.338237  0.514549  1
  Ta  Ta58  1  0.776570  0.838237  0.514549  1
  Ta  Ta59  1  0.705980  0.203312  0.551466  1
  Ta  Ta60  1  0.205980  0.703312  0.551466  1
  Ta  Ta61  1  0.455980  0.453312  0.551466  1
  Ta  Ta62  1  0.955980  0.953312  0.551466  1
  Ta  Ta63  1  0.026570  0.588237  0.514549  1
  Ta  Ta64  1  0.526570  0.088237  0.514549  1
  Ta  Ta65  1  0.031013  0.114750  0.644590  1
  Ta  Ta66  1  0.531013  0.614750  0.644590  1
  Ta  Ta67  1  0.598821  0.252131  0.607072  1
  Ta  Ta68  1  0.098821  0.752131  0.607072  1
  Ta  Ta69  1  0.281013  0.864750  0.644590  1
  Ta  Ta70  1  0.781013  0.364750  0.644590  1
  Ta  Ta71  1  0.848821  1.002131  0.607072  1
  Ta  Ta72  1  0.348821  0.502131  0.607072  1
  Ta  Ta73  1  0.135305  0.068390  0.588738  1
  Ta  Ta74  1  0.635305  0.568390  0.588738  1
  Ta  Ta75  1  0.556374  0.939825  0.627145  1
  Ta  Ta76  1  0.056374  0.439825  0.627145  1
  Ta  Ta77  1  0.306374  0.189825  0.627145  1
  Ta  Ta78  1  0.806374  0.689825  0.627145  1
  Ta  Ta79  1  0.885305  0.318390  0.588738  1
  Ta  Ta80  1  0.385305  0.818390  0.588738  1
  Ta  Ta81  1  0.891304  0.859605  0.713460  1
  Ta  Ta82  1  0.391304  0.359605  0.713460  1
  Ta  Ta83  1  0.437760  1.009808  0.682107  1
  Ta  Ta84  1  0.937760  0.509808  0.682107  1
  Ta  Ta85  1  0.141304  0.609605  0.713460  1
  Ta  Ta86  1  0.641304  0.109605  0.713460  1
  Ta  Ta87  1  0.687760  0.759808  0.682107  1
  Ta  Ta88  1  0.187760  0.259808  0.682107  1
  Ta  Ta89  1  -0.008663  0.804344  0.661692  1
  Ta  Ta90  1  0.491337  0.304344  0.661692  1
  Ta  Ta91  1  0.417054  0.671034  0.697079  1
  Ta  Ta92  1  0.917054  0.171034  0.697079  1
  Ta  Ta93  1  0.167054  0.921034  0.697079  1
  Ta  Ta94  1  0.667054  0.421034  0.697079  1
  Ta  Ta95  1  0.741337  0.054344  0.661692  1
  Ta  Ta96  1  0.241337  0.554344  0.661692  1
