# generated using pymatgen
data_W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09971301
_cell_length_b   11.33414837
_cell_length_c   50.14945604
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W
_chemical_formula_sum   W80
_cell_volume   2898.68388767
_cell_formula_units_Z   80
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
  W  W1  1  1.000109  0.518696  0.331133  1
  W  W2  1  1.000109  0.125534  0.286861  1
  W  W3  1  1.000109  0.628724  0.286637  1
  W  W4  1  1.000109  0.023477  0.332403  1
  W  W5  1  0.248368  0.872965  0.290632  1
  W  W6  1  0.248167  0.269787  0.333025  1
  W  W7  1  0.751850  0.872965  0.290632  1
  W  W8  1  0.752050  0.269787  0.333025  1
  W  W9  1  0.500109  0.665426  0.319970  1
  W  W10  1  0.500109  0.069987  0.366344  1
  W  W11  1  0.500109  0.457908  0.298430  1
  W  W12  1  0.500109  0.868419  0.344188  1
  W  W13  1  0.500109  0.469853  0.354755  1
  W  W14  1  0.500109  0.077159  0.308028  1
  W  W15  1  1.000109  0.766478  0.332970  1
  W  W16  1  1.000109  0.372914  0.287315  1
  W  W17  1  1.000109  0.320828  0.423449  1
  W  W18  1  1.000109  0.920077  0.377792  1
  W  W19  1  1.000109  0.421113  0.377694  1
  W  W20  1  1.000109  0.819952  0.423349  1
  W  W21  1  0.250324  0.668959  0.377687  1
  W  W22  1  0.250203  0.070135  0.423501  1
  W  W23  1  0.749894  0.668959  0.377687  1
  W  W24  1  0.750014  0.070135  0.423501  1
  W  W25  1  0.500109  0.470304  0.412036  1
  W  W26  1  0.500109  0.870536  0.457684  1
  W  W27  1  0.500109  0.270043  0.389445  1
  W  W28  1  0.500109  0.670488  0.434777  1
  W  W29  1  0.500109  0.270533  0.446316  1
  W  W30  1  0.500109  0.869860  0.400714  1
  W  W31  1  1.000109  0.570452  0.423440  1
  W  W32  1  1.000109  0.170094  0.378317  1
  W  W33  1  1.000109  0.121048  0.514770  1
  W  W34  1  1.000109  0.720973  0.469033  1
  W  W35  1  1.000109  0.220598  0.469077  1
  W  W36  1  1.000109  0.621219  0.514616  1
  W  W37  1  0.250140  0.470802  0.469044  1
  W  W38  1  0.250119  0.871338  0.514674  1
  W  W39  1  0.750077  0.470802  0.469044  1
  W  W40  1  0.750098  0.871338  0.514674  1
  W  W41  1  0.500109  0.270941  0.503315  1
  W  W42  1  0.500109  0.671931  0.548775  1
  W  W43  1  0.500109  0.070845  0.480482  1
  W  W44  1  0.500109  0.471452  0.525981  1
  W  W45  1  0.500109  0.071286  0.537586  1
  W  W46  1  0.500109  0.671086  0.491810  1
  W  W47  1  1.000109  0.371164  0.514674  1
  W  W48  1  1.000109  0.970691  0.469063  1
  W  W49  1  1.000109  0.921789  0.606493  1
  W  W50  1  1.000109  0.522027  0.560246  1
  W  W51  1  1.000109  0.021081  0.560515  1
  W  W52  1  1.000109  0.421482  0.605764  1
  W  W53  1  0.250104  0.271314  0.560266  1
  W  W54  1  0.249962  0.673788  0.605690  1
  W  W55  1  0.750113  0.271314  0.560266  1
  W  W56  1  0.750255  0.673788  0.605690  1
  W  W57  1  0.500109  0.071227  0.594804  1
  W  W58  1  0.500109  0.474403  0.638686  1
  W  W59  1  0.500109  0.872106  0.571705  1
  W  W60  1  0.500109  0.271758  0.617005  1
  W  W61  1  0.500109  0.873142  0.629028  1
  W  W62  1  0.500109  0.472379  0.582662  1
  W  W63  1  1.000109  0.171133  0.605953  1
  W  W64  1  1.000109  0.772198  0.560224  1
  W  W65  1  1.000109  0.712513  0.698433  1
  W  W66  1  1.000109  0.318931  0.651487  1
  W  W67  1  1.000109  0.822799  0.652878  1
  W  W68  1  1.000109  0.222932  0.699652  1
  W  W69  1  0.248775  0.072605  0.652063  1
  W  W70  1  0.249298  0.472795  0.693578  1
  W  W71  1  0.751442  0.072605  0.652063  1
  W  W72  1  0.750919  0.472795  0.693578  1
  W  W73  1  0.500109  0.875716  0.685985  1
  W  W74  1  0.500109  0.309280  0.725528  1
  W  W75  1  0.500109  0.674922  0.662681  1
  W  W76  1  0.500109  0.090946  0.706486  1
  W  W77  1  0.500109  0.666918  0.717205  1
  W  W78  1  0.500109  0.274678  0.672650  1
  W  W79  1  1.000109  0.972346  0.698857  1
  W  W80  1  1.000109  0.575033  0.650225  1
