# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.68700523
_cell_length_b   11.68895109
_cell_length_c   47.43506591
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P108
_cell_volume   6447.56732633
_cell_formula_units_Z   108
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
  P  P1  1  0.066310  0.399853  0.348922  1
  P  P2  1  0.399643  0.066520  0.348922  1
  P  P3  1  0.472389  0.472581  0.299982  1
  P  P4  1  0.732976  0.733187  0.348922  1
  P  P5  1  0.805722  0.139247  0.299982  1
  P  P6  1  0.762413  0.429277  0.322393  1
  P  P7  1  0.139056  0.805914  0.299982  1
  P  P8  1  0.095746  0.095944  0.322393  1
  P  P9  1  0.429079  0.762610  0.322393  1
  P  P10  1  0.992891  0.326407  0.289433  1
  P  P11  1  0.326225  0.993074  0.289433  1
  P  P12  1  0.281157  0.281346  0.310945  1
  P  P13  1  0.659558  0.659741  0.289433  1
  P  P14  1  0.614491  0.948013  0.310945  1
  P  P15  1  0.577981  0.244854  0.333334  1
  P  P16  1  0.947824  0.614680  0.310945  1
  P  P17  1  0.911314  0.911521  0.333334  1
  P  P18  1  0.244648  0.578187  0.333334  1
  P  P19  1  0.970647  0.304222  0.419273  1
  P  P20  1  0.303980  0.970888  0.419273  1
  P  P21  1  0.367019  0.367239  0.370427  1
  P  P22  1  0.637313  0.637555  0.419273  1
  P  P23  1  0.700352  0.033906  0.370427  1
  P  P24  1  0.667001  0.333898  0.393990  1
  P  P25  1  0.033685  0.700572  0.370427  1
  P  P26  1  1.000335  1.000565  0.393990  1
  P  P27  1  0.333668  0.667232  0.393990  1
  P  P28  1  0.884109  0.217658  0.359292  1
  P  P29  1  0.217442  0.884325  0.359292  1
  P  P30  1  0.183319  0.183544  0.383135  1
  P  P31  1  0.550776  0.550991  0.359292  1
  P  P32  1  0.516652  0.850211  0.383135  1
  P  P33  1  0.486868  0.153773  0.407658  1
  P  P34  1  0.849986  0.516878  0.383135  1
  P  P35  1  0.820201  0.820439  0.407658  1
  P  P36  1  0.153535  0.487106  0.407658  1
  P  P37  1  0.874866  0.208472  0.490667  1
  P  P38  1  0.208199  0.875138  0.490667  1
  P  P39  1  0.271440  0.271693  0.443219  1
  P  P40  1  0.541532  0.541805  0.490667  1
  P  P41  1  0.604773  0.938360  0.443219  1
  P  P42  1  0.573496  0.240426  0.467143  1
  P  P43  1  0.938107  0.605027  0.443219  1
  P  P44  1  0.906830  0.907093  0.467143  1
  P  P45  1  0.240163  0.573759  0.467143  1
  P  P46  1  0.787434  0.121014  0.430617  1
  P  P47  1  0.120768  0.787680  0.430617  1
  P  P48  1  0.088361  0.088618  0.454459  1
  P  P49  1  0.454101  0.454347  0.430617  1
  P  P50  1  0.421694  0.755284  0.454459  1
  P  P51  1  0.391251  0.058186  0.479276  1
  P  P52  1  0.755027  0.421951  0.454459  1
  P  P53  1  0.724584  0.724853  0.479276  1
  P  P54  1  0.057917  0.391519  0.479276  1
  P  P55  1  0.779816  0.113455  0.563283  1
  P  P56  1  0.113149  0.780122  0.563283  1
  P  P57  1  0.175999  0.176283  0.514625  1
  P  P58  1  0.446482  0.446789  0.563283  1
  P  P59  1  0.509333  0.842949  0.514625  1
  P  P60  1  0.478889  0.145851  0.539442  1
  P  P61  1  0.842666  0.509616  0.514625  1
  P  P62  1  0.812223  0.812518  0.539442  1
  P  P63  1  0.145556  0.479184  0.539442  1
  P  P64  1  0.692384  0.025997  0.503234  1
  P  P65  1  0.025718  0.692664  0.503234  1
  P  P66  1  0.993754  0.994043  0.526758  1
  P  P67  1  0.359051  0.359330  0.503234  1
  P  P68  1  0.327087  0.660710  0.526758  1
  P  P69  1  0.295810  0.962775  0.550681  1
  P  P70  1  0.660420  0.327376  0.526758  1
  P  P71  1  0.629143  0.629442  0.550681  1
  P  P72  1  0.962477  0.296109  0.550681  1
  P  P73  1  0.683141  0.016811  0.634609  1
  P  P74  1  0.016474  0.683477  0.634609  1
  P  P75  1  0.080382  0.080696  0.586243  1
  P  P76  1  0.349808  0.350144  0.634609  1
  P  P77  1  0.413715  0.747363  0.586243  1
  P  P78  1  0.383931  0.050924  0.610766  1
  P  P79  1  0.747049  0.414029  0.586243  1
  P  P80  1  0.717264  0.717591  0.610766  1
  P  P81  1  0.050598  0.384258  0.610766  1
  P  P82  1  0.596604  0.930247  0.574628  1
  P  P83  1  0.929937  0.596914  0.574628  1
  P  P84  1  0.900249  0.900570  0.599911  1
  P  P85  1  0.263270  0.263580  0.574628  1
  P  P86  1  0.233582  0.567237  0.599911  1
  P  P87  1  0.200232  0.867230  0.623474  1
  P  P88  1  0.566915  0.233904  0.599911  1
  P  P89  1  0.533565  0.533896  0.623474  1
  P  P90  1  0.866898  0.200563  0.623474  1
  P  P91  1  0.574359  0.908062  0.704468  1
  P  P92  1  0.907692  0.574728  0.704468  1
  P  P93  1  0.989269  0.989615  0.660567  1
  P  P94  1  0.241025  0.241395  0.704468  1
  P  P95  1  0.322602  0.656282  0.660567  1
  P  P96  1  0.286093  0.953122  0.682955  1
  P  P97  1  0.655936  0.322948  0.660567  1
  P  P98  1  0.619426  0.619789  0.682955  1
  P  P99  1  0.952759  0.286456  0.682955  1
  P  P100  1  0.500940  0.834615  0.644979  1
  P  P101  1  0.834274  0.501282  0.644979  1
  P  P102  1  0.804838  0.805192  0.671508  1
  P  P103  1  0.167607  0.167949  0.644979  1
  P  P104  1  0.138171  0.471858  0.671508  1
  P  P105  1  0.094861  0.761888  0.693919  1
  P  P106  1  0.471504  0.138525  0.671508  1
  P  P107  1  0.428194  0.428555  0.693919  1
  P  P108  1  0.761528  0.095222  0.693919  1
