# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.61769940
_cell_length_b   25.35228292
_cell_length_c   52.56644879
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.94690767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   22114.6331131
_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
  P  P1  1  0.129461  0.141788  0.342475  1
  P  P2  1  0.073852  0.890506  0.442475  1
  P  P3  1  0.488008  0.106621  0.357759  1
  P  P4  1  0.432399  0.855339  0.457759  1
  P  P5  1  0.981896  0.109711  0.375252  1
  P  P6  1  0.926287  0.858429  0.475252  1
  P  P7  1  0.635572  0.138699  0.324983  1
  P  P8  1  0.579964  0.887417  0.424983  1
  P  P9  1  0.014913  0.056855  0.321995  1
  P  P10  1  0.959304  0.805573  0.421995  1
  P  P11  1  0.602555  0.191554  0.378239  1
  P  P12  1  0.546947  0.940272  0.478239  1
  P  P13  1  0.953397  0.175904  0.325282  1
  P  P14  1  0.897789  0.924622  0.425282  1
  P  P15  1  0.664071  0.072505  0.374952  1
  P  P16  1  0.608462  0.821223  0.474952  1
  P  P17  1  0.168517  0.379401  0.499276  1
  P  P18  1  0.224125  0.630683  0.399276  1
  P  P19  1  0.337735  0.366445  0.400958  1
  P  P20  1  0.393513  0.617825  0.300950  1
  P  P21  1  0.271757  0.929569  0.353962  1
  P  P22  1  0.216673  0.679825  0.454097  1
  P  P23  1  0.345186  0.317302  0.346137  1
  P  P24  1  0.289578  0.066020  0.446137  1
  P  P25  1  0.148907  0.849906  0.337836  1
  P  P26  1  0.090840  0.598233  0.437697  1
  P  P27  1  0.471020  0.398895  0.362538  1
  P  P28  1  0.415411  0.147613  0.462538  1
  P  P29  1  0.271568  0.560410  0.446681  1
  P  P30  1  0.325412  0.812937  0.346669  1
  P  P31  1  0.234683  0.185436  0.453554  1
  P  P32  1  0.290292  0.436718  0.353554  1
  P  P33  1  0.823959  0.356667  0.383284  1
  P  P34  1  0.768351  0.105385  0.483284  1
  P  P35  1  0.787186  0.892135  0.316712  1
  P  P36  1  0.737900  0.640460  0.416950  1
  P  P37  1  0.896128  0.294686  0.430456  1
  P  P38  1  0.952131  0.550135  0.330356  1
  P  P39  1  0.610124  0.451160  0.469778  1
  P  P40  1  0.665732  0.702442  0.369778  1
  P  P41  1  0.905968  0.417837  0.427360  1
  P  P42  1  0.961303  0.664910  0.327450  1
  P  P43  1  0.600283  0.328009  0.472874  1
  P  P44  1  0.655891  0.579291  0.372874  1
  P  P45  1  0.011416  0.344541  0.390873  1
  P  P46  1  0.955808  0.093259  0.490873  1
  P  P47  1  0.612496  0.903434  0.309590  1
  P  P48  1  0.550444  0.652586  0.409362  1
  P  P49  1  0.018244  0.639225  0.542475  1
  P  P50  1  0.962635  0.387943  0.642475  1
  P  P51  1  0.376791  0.604057  0.557759  1
  P  P52  1  0.321182  0.352775  0.657759  1
  P  P53  1  0.870679  0.607147  0.575252  1
  P  P54  1  0.815071  0.355865  0.675252  1
  P  P55  1  0.524356  0.636135  0.524983  1
  P  P56  1  0.468747  0.384853  0.624983  1
  P  P57  1  0.903696  0.554291  0.521995  1
  P  P58  1  0.848088  0.303010  0.621995  1
  P  P59  1  0.491339  0.688990  0.578239  1
  P  P60  1  0.435730  0.437708  0.678239  1
  P  P61  1  0.842181  0.673340  0.525282  1
  P  P62  1  0.786572  0.422058  0.625282  1
  P  P63  1  0.552854  0.569941  0.574952  1
  P  P64  1  0.497246  0.318660  0.674952  1
  P  P65  1  0.057130  0.876739  0.699285  1
  P  P66  1  0.112908  0.128119  0.599276  1
  P  P67  1  0.226518  0.863881  0.600958  1
  P  P68  1  0.282127  0.115163  0.500958  1
  P  P69  1  0.161065  0.428543  0.554097  1
  P  P70  1  0.105457  0.177262  0.654097  1
  P  P71  1  0.233970  0.814738  0.546137  1
  P  P72  1  0.178886  0.564995  0.646273  1
  P  P73  1  0.035232  0.346951  0.537697  1
  P  P74  1  0.979623  0.095669  0.637697  1
  P  P75  1  0.359803  0.896331  0.562538  1
  P  P76  1  0.301736  0.644658  0.662399  1
  P  P77  1  0.160351  0.057846  0.646681  1
  P  P78  1  0.215960  0.309128  0.546681  1
  P  P79  1  0.125231  0.681627  0.653565  1
  P  P80  1  0.179075  0.934154  0.553554  1
  P  P81  1  0.712743  0.854103  0.583284  1
  P  P82  1  0.663457  0.602429  0.683522  1
  P  P83  1  0.682292  0.389178  0.516950  1
  P  P84  1  0.626684  0.137897  0.616950  1
  P  P85  1  0.784911  0.792122  0.630456  1
  P  P86  1  0.840519  0.043404  0.530456  1
  P  P87  1  0.498512  0.944428  0.669878  1
  P  P88  1  0.554515  0.199878  0.569778  1
  P  P89  1  0.794752  0.915273  0.627360  1
  P  P90  1  0.850360  0.166555  0.527360  1
  P  P91  1  0.489340  0.829654  0.672784  1
  P  P92  1  0.544675  0.076727  0.572874  1
  P  P93  1  0.900199  0.841977  0.590873  1
  P  P94  1  0.838147  0.591129  0.690644  1
  P  P95  1  0.494835  0.401305  0.509362  1
  P  P96  1  0.439227  0.150023  0.609362  1
