# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.06196215
_cell_length_b   10.06196215
_cell_length_c   47.83473202
_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   Ta120
_cell_volume   4842.93571433
_cell_formula_units_Z   120
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  1.003120  0.003120  0.300629  1
  Ta  Ta2  1  0.503120  0.503120  0.355541  1
  Ta  Ta3  1  0.936748  0.268335  0.300399  1
  Ta  Ta4  1  0.765628  0.569608  0.355197  1
  Ta  Ta5  1  0.240613  0.436633  0.355197  1
  Ta  Ta6  1  0.069493  0.737906  0.300399  1
  Ta  Ta7  1  0.569608  0.765628  0.355197  1
  Ta  Ta8  1  0.436633  0.240613  0.355197  1
  Ta  Ta9  1  0.268335  0.936748  0.300399  1
  Ta  Ta10  1  0.737906  0.069493  0.300399  1
  Ta  Ta11  1  0.873026  0.539017  0.304128  1
  Ta  Ta12  1  0.038404  0.633570  0.354072  1
  Ta  Ta13  1  0.967837  0.372671  0.354072  1
  Ta  Ta14  1  0.133215  0.467223  0.304128  1
  Ta  Ta15  1  0.633570  0.038404  0.354072  1
  Ta  Ta16  1  0.372671  0.967837  0.354072  1
  Ta  Ta17  1  0.539017  0.873026  0.304128  1
  Ta  Ta18  1  0.467223  0.133215  0.304128  1
  Ta  Ta19  1  0.899781  0.106460  0.352891  1
  Ta  Ta20  1  0.605088  0.605088  0.306393  1
  Ta  Ta21  1  0.401153  0.401153  0.306393  1
  Ta  Ta22  1  0.106460  0.899781  0.352891  1
  Ta  Ta23  1  0.687003  0.319238  0.381409  1
  Ta  Ta24  1  0.822475  0.822475  0.380978  1
  Ta  Ta25  1  0.183766  0.183766  0.380978  1
  Ta  Ta26  1  0.319238  0.687003  0.381409  1
  Ta  Ta27  1  0.819079  0.819079  0.323694  1
  Ta  Ta28  1  0.322161  0.684080  0.323802  1
  Ta  Ta29  1  0.684080  0.322161  0.323802  1
  Ta  Ta30  1  0.187162  0.187162  0.323694  1
  Ta  Ta31  1  1.003120  0.003120  0.409354  1
  Ta  Ta32  1  0.503120  0.503120  0.465972  1
  Ta  Ta33  1  0.937211  0.264904  0.409568  1
  Ta  Ta34  1  0.765245  0.569256  0.465960  1
  Ta  Ta35  1  0.240996  0.436985  0.465960  1
  Ta  Ta36  1  0.069030  0.741337  0.409568  1
  Ta  Ta37  1  0.569256  0.765245  0.465960  1
  Ta  Ta38  1  0.436985  0.240996  0.465960  1
  Ta  Ta39  1  0.264904  0.937211  0.409568  1
  Ta  Ta40  1  0.741337  0.069030  0.409568  1
  Ta  Ta41  1  0.873658  0.538215  0.410173  1
  Ta  Ta42  1  0.038177  0.632890  0.465826  1
  Ta  Ta43  1  0.968064  0.373351  0.465826  1
  Ta  Ta44  1  0.132583  0.468026  0.410173  1
  Ta  Ta45  1  0.632890  0.038177  0.465826  1
  Ta  Ta46  1  0.373351  0.968064  0.465826  1
  Ta  Ta47  1  0.538215  0.873658  0.410173  1
  Ta  Ta48  1  0.468026  0.132583  0.410173  1
  Ta  Ta49  1  0.899559  0.106682  0.465672  1
  Ta  Ta50  1  0.606989  0.606989  0.410387  1
  Ta  Ta51  1  0.399252  0.399252  0.410387  1
  Ta  Ta52  1  0.106682  0.899559  0.465672  1
  Ta  Ta53  1  0.685551  0.320690  0.493920  1
  Ta  Ta54  1  0.820813  0.820813  0.493656  1
  Ta  Ta55  1  0.185428  0.185428  0.493656  1
  Ta  Ta56  1  0.320690  0.685551  0.493920  1
  Ta  Ta57  1  0.821123  0.821123  0.437666  1
  Ta  Ta58  1  0.320284  0.685957  0.437745  1
  Ta  Ta59  1  0.685957  0.320284  0.437745  1
  Ta  Ta60  1  0.185118  0.185118  0.437666  1
  Ta  Ta61  1  1.003120  0.003120  0.521693  1
  Ta  Ta62  1  0.503120  0.503120  0.578229  1
  Ta  Ta63  1  0.936991  0.265225  0.521736  1
  Ta  Ta64  1  0.764891  0.568959  0.578071  1
  Ta  Ta65  1  0.241350  0.437282  0.578071  1
  Ta  Ta66  1  0.069250  0.741016  0.521736  1
  Ta  Ta67  1  0.568959  0.764891  0.578071  1
  Ta  Ta68  1  0.437282  0.241350  0.578071  1
  Ta  Ta69  1  0.265225  0.936991  0.521736  1
  Ta  Ta70  1  0.741016  0.069250  0.521736  1
  Ta  Ta71  1  0.873416  0.538166  0.521852  1
  Ta  Ta72  1  0.038238  0.632520  0.577708  1
  Ta  Ta73  1  0.968002  0.373721  0.577708  1
  Ta  Ta74  1  0.132825  0.468075  0.521852  1
  Ta  Ta75  1  0.632520  0.038238  0.577708  1
  Ta  Ta76  1  0.373721  0.968002  0.577708  1
  Ta  Ta77  1  0.538166  0.873416  0.521852  1
  Ta  Ta78  1  0.468075  0.132825  0.521852  1
  Ta  Ta79  1  0.899333  0.106907  0.577541  1
  Ta  Ta80  1  0.606715  0.606715  0.521939  1
  Ta  Ta81  1  0.399526  0.399526  0.521939  1
  Ta  Ta82  1  0.106907  0.899333  0.577541  1
  Ta  Ta83  1  0.684110  0.322131  0.606068  1
  Ta  Ta84  1  0.819696  0.819696  0.605507  1
  Ta  Ta85  1  0.186545  0.186545  0.605507  1
  Ta  Ta86  1  0.322131  0.684110  0.606068  1
  Ta  Ta87  1  0.820402  0.820402  0.549742  1
  Ta  Ta88  1  0.320993  0.685247  0.549848  1
  Ta  Ta89  1  0.685247  0.320993  0.549848  1
  Ta  Ta90  1  0.185839  0.185839  0.549742  1
  Ta  Ta91  1  1.003120  0.003120  0.633709  1
  Ta  Ta92  1  0.503120  0.503120  0.692071  1
  Ta  Ta93  1  0.936383  0.265854  0.633167  1
  Ta  Ta94  1  0.769169  0.570667  0.691008  1
  Ta  Ta95  1  0.237072  0.435574  0.691008  1
  Ta  Ta96  1  0.069858  0.740386  0.633167  1
  Ta  Ta97  1  0.570667  0.769169  0.691008  1
  Ta  Ta98  1  0.435574  0.237072  0.691008  1
  Ta  Ta99  1  0.265854  0.936383  0.633167  1
  Ta  Ta100  1  0.740386  0.069858  0.633167  1
  Ta  Ta101  1  0.872743  0.538231  0.634302  1
  Ta  Ta102  1  0.038748  0.637506  0.686364  1
  Ta  Ta103  1  0.967493  0.368734  0.686364  1
  Ta  Ta104  1  0.133497  0.468010  0.634302  1
  Ta  Ta105  1  0.637506  0.038748  0.686364  1
  Ta  Ta106  1  0.368734  0.967493  0.686364  1
  Ta  Ta107  1  0.538231  0.872743  0.634302  1
  Ta  Ta108  1  0.468010  0.133497  0.634302  1
  Ta  Ta109  1  0.901299  0.104942  0.684884  1
  Ta  Ta110  1  0.606106  0.606106  0.635376  1
  Ta  Ta111  1  0.400135  0.400135  0.635376  1
  Ta  Ta112  1  0.104942  0.901299  0.684884  1
  Ta  Ta113  1  0.709650  0.296591  0.715466  1
  Ta  Ta114  1  0.849161  0.849161  0.714466  1
  Ta  Ta115  1  0.157080  0.157080  0.714466  1
  Ta  Ta116  1  0.296591  0.709650  0.715466  1
  Ta  Ta117  1  0.817729  0.817729  0.661299  1
  Ta  Ta118  1  0.323283  0.682958  0.661879  1
  Ta  Ta119  1  0.682958  0.323283  0.661879  1
  Ta  Ta120  1  0.188512  0.188512  0.661299  1
