# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52535168
_cell_length_b   10.92087931
_cell_length_c   52.67324276
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06762976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta110
_cell_volume   4328.86618754
_cell_formula_units_Z   110
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  0.997155  0.010361  0.291768  1
  Ta  Ta2  1  0.497155  0.510361  0.336460  1
  Ta  Ta3  1  0.910206  0.290000  0.290400  1
  Ta  Ta4  1  0.084103  0.730722  0.290400  1
  Ta  Ta5  1  0.743731  0.328450  0.336882  1
  Ta  Ta6  1  0.250578  0.692272  0.336882  1
  Ta  Ta7  1  0.744433  0.828128  0.292275  1
  Ta  Ta8  1  0.249876  0.192594  0.292275  1
  Ta  Ta9  1  0.591391  0.767106  0.335939  1
  Ta  Ta10  1  0.402918  0.253616  0.335939  1
  Ta  Ta11  1  0.188125  0.478835  0.295844  1
  Ta  Ta12  1  0.806184  0.541887  0.295844  1
  Ta  Ta13  1  0.100512  0.396494  0.340644  1
  Ta  Ta14  1  0.893797  0.624228  0.340644  1
  Ta  Ta15  1  0.371032  0.901364  0.295747  1
  Ta  Ta16  1  0.623277  0.119358  0.295747  1
  Ta  Ta17  1  0.311170  1.010025  0.339224  1
  Ta  Ta18  1  0.683139  0.010697  0.339224  1
  Ta  Ta19  1  0.462879  0.649246  0.290045  1
  Ta  Ta20  1  0.531430  0.371476  0.290045  1
  Ta  Ta21  1  0.994799  0.147584  0.335677  1
  Ta  Ta22  1  -0.000490  0.873138  0.335677  1
  Ta  Ta23  1  0.997155  0.010361  0.382507  1
  Ta  Ta24  1  0.497155  0.510361  0.428778  1
  Ta  Ta25  1  0.908214  0.275097  0.382915  1
  Ta  Ta26  1  0.086095  0.745626  0.382915  1
  Ta  Ta27  1  0.747358  0.329665  0.428744  1
  Ta  Ta28  1  0.246951  0.691057  0.428744  1
  Ta  Ta29  1  0.748369  0.828868  0.382804  1
  Ta  Ta30  1  0.245940  0.191855  0.382804  1
  Ta  Ta31  1  0.581926  0.778917  0.428378  1
  Ta  Ta32  1  0.412383  0.241805  0.428378  1
  Ta  Ta33  1  0.185063  0.504764  0.384417  1
  Ta  Ta34  1  0.809246  0.515958  0.384417  1
  Ta  Ta35  1  0.118258  0.395885  0.429115  1
  Ta  Ta36  1  0.876051  0.624837  0.429115  1
  Ta  Ta37  1  0.380715  0.895455  0.383178  1
  Ta  Ta38  1  0.613594  0.125267  0.383178  1
  Ta  Ta39  1  0.311175  1.001365  0.428305  1
  Ta  Ta40  1  0.683134  0.019357  0.428305  1
  Ta  Ta41  1  0.496986  0.646482  0.382700  1
  Ta  Ta42  1  0.497323  0.374240  0.382700  1
  Ta  Ta43  1  -0.000081  0.146770  0.428504  1
  Ta  Ta44  1  0.994390  0.873952  0.428504  1
  Ta  Ta45  1  0.997155  0.010361  0.474068  1
  Ta  Ta46  1  0.497155  0.510361  0.519801  1
  Ta  Ta47  1  0.913507  0.278956  0.474251  1
  Ta  Ta48  1  0.080802  0.741767  0.474251  1
  Ta  Ta49  1  0.748315  0.330292  0.519768  1
  Ta  Ta50  1  0.245994  0.690430  0.519768  1
  Ta  Ta51  1  0.746264  0.830141  0.474106  1
  Ta  Ta52  1  0.248045  0.190581  0.474106  1
  Ta  Ta53  1  0.580313  0.779463  0.519621  1
  Ta  Ta54  1  0.413996  0.241259  0.519621  1
  Ta  Ta55  1  0.182622  0.501908  0.474447  1
  Ta  Ta56  1  0.811688  0.518814  0.474447  1
  Ta  Ta57  1  0.120136  0.396899  0.519948  1
  Ta  Ta58  1  0.874173  0.623823  0.519948  1
  Ta  Ta59  1  0.374875  0.897028  0.473914  1
  Ta  Ta60  1  0.619434  0.123694  0.473914  1
  Ta  Ta61  1  0.311359  1.001485  0.519417  1
  Ta  Ta62  1  0.682951  0.019237  0.519417  1
  Ta  Ta63  1  0.494735  0.647278  0.474186  1
  Ta  Ta64  1  0.499574  0.373444  0.474186  1
  Ta  Ta65  1  -0.000013  0.147403  0.519690  1
  Ta  Ta66  1  0.994322  0.873319  0.519690  1
  Ta  Ta67  1  0.997155  0.010361  0.565104  1
  Ta  Ta68  1  0.497155  0.510361  0.611340  1
  Ta  Ta69  1  0.911764  0.278261  0.565508  1
  Ta  Ta70  1  0.082545  0.742461  0.565508  1
  Ta  Ta71  1  0.746318  0.329051  0.611074  1
  Ta  Ta72  1  0.247991  0.691671  0.611074  1
  Ta  Ta73  1  0.747279  0.829483  0.565121  1
  Ta  Ta74  1  0.247030  0.191240  0.565121  1
  Ta  Ta75  1  0.585429  0.775809  0.610945  1
  Ta  Ta76  1  0.408881  0.244913  0.610945  1
  Ta  Ta77  1  0.182752  0.501891  0.565544  1
  Ta  Ta78  1  0.811558  0.518831  0.565544  1
  Ta  Ta79  1  0.114641  0.395355  0.610688  1
  Ta  Ta80  1  0.879668  0.625367  0.610688  1
  Ta  Ta81  1  0.376905  0.896050  0.564747  1
  Ta  Ta82  1  0.617404  0.124672  0.564747  1
  Ta  Ta83  1  0.308891  1.004179  0.609466  1
  Ta  Ta84  1  0.685418  0.016543  0.609466  1
  Ta  Ta85  1  0.494913  0.646639  0.565370  1
  Ta  Ta86  1  0.499396  0.374083  0.565370  1
  Ta  Ta87  1  -0.002061  0.146639  0.611193  1
  Ta  Ta88  1  0.996370  0.874083  0.611193  1
  Ta  Ta89  1  0.997155  0.010361  0.657424  1
  Ta  Ta90  1  0.497155  0.510361  0.702073  1
  Ta  Ta91  1  0.902932  0.266915  0.657913  1
  Ta  Ta92  1  0.091377  0.753807  0.657913  1
  Ta  Ta93  1  0.749946  0.328236  0.701560  1
  Ta  Ta94  1  0.244363  0.692487  0.701560  1
  Ta  Ta95  1  0.750621  0.828421  0.656984  1
  Ta  Ta96  1  0.243688  0.192301  0.656984  1
  Ta  Ta97  1  0.584080  0.789963  0.703469  1
  Ta  Ta98  1  0.410229  0.230759  0.703469  1
  Ta  Ta99  1  0.182897  0.510317  0.654663  1
  Ta  Ta100  1  0.811412  0.510406  0.654663  1
  Ta  Ta101  1  0.123476  0.401298  0.698121  1
  Ta  Ta102  1  0.870833  0.619425  0.698121  1
  Ta  Ta103  1  0.394069  0.896505  0.653268  1
  Ta  Ta104  1  0.600240  0.124217  0.653268  1
  Ta  Ta105  1  0.306077  0.978890  0.698043  1
  Ta  Ta106  1  0.688232  0.041833  0.698043  1
  Ta  Ta107  1  0.499816  0.647445  0.658134  1
  Ta  Ta108  1  0.494493  0.373277  0.658134  1
  Ta  Ta109  1  0.031491  0.149265  0.703835  1
  Ta  Ta110  1  0.962818  0.871457  0.703835  1
