# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.52752102
_cell_length_b   12.87518581
_cell_length_c   47.70585570
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.55469577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P192
_cell_volume   10470.7196606
_cell_formula_units_Z   192
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  0.308897  0.562708  0.307113  1
  P  P2  1  0.649567  0.702059  0.298110  1
  P  P3  1  0.992899  0.825799  0.288267  1
  P  P4  1  0.307525  0.063162  0.306867  1
  P  P5  1  0.649458  0.201642  0.298047  1
  P  P6  1  0.990660  0.326350  0.288024  1
  P  P7  1  0.478720  0.884447  0.302821  1
  P  P8  1  0.820720  0.015386  0.293178  1
  P  P9  1  0.172637  0.981095  0.270677  1
  P  P10  1  0.478937  0.384291  0.302693  1
  P  P11  1  0.819388  0.515801  0.293201  1
  P  P12  1  0.172439  0.485296  0.270269  1
  P  P13  1  0.307503  0.813113  0.307390  1
  P  P14  1  0.649617  0.951800  0.298094  1
  P  P15  1  0.991242  0.076366  0.287997  1
  P  P16  1  0.307353  0.313664  0.306685  1
  P  P17  1  0.649131  0.451862  0.298046  1
  P  P18  1  0.989548  0.575734  0.288281  1
  P  P19  1  0.478875  0.634678  0.302806  1
  P  P20  1  0.820890  0.765969  0.293257  1
  P  P21  1  0.125508  0.638902  0.326270  1
  P  P22  1  0.478753  0.134376  0.302725  1
  P  P23  1  0.820007  0.265609  0.293239  1
  P  P24  1  0.172254  0.233249  0.269794  1
  P  P25  1  0.257671  0.460070  0.365520  1
  P  P26  1  0.599206  0.592596  0.356240  1
  P  P27  1  0.941829  0.716369  0.346308  1
  P  P28  1  0.257968  0.959936  0.365864  1
  P  P29  1  0.598846  0.092543  0.356213  1
  P  P30  1  0.940680  0.216382  0.346428  1
  P  P31  1  0.428280  0.777563  0.360982  1
  P  P32  1  0.769990  0.905155  0.351406  1
  P  P33  1  0.123874  0.888095  0.328098  1
  P  P34  1  0.427927  0.277755  0.360758  1
  P  P35  1  0.769640  0.405198  0.351411  1
  P  P36  1  0.123803  0.387971  0.327273  1
  P  P37  1  0.257933  0.709430  0.365925  1
  P  P38  1  0.599054  0.842563  0.356259  1
  P  P39  1  0.940713  0.966568  0.346381  1
  P  P40  1  0.257737  0.210092  0.365650  1
  P  P41  1  0.598885  0.342495  0.356207  1
  P  P42  1  0.940341  0.466309  0.346487  1
  P  P43  1  0.428443  0.527591  0.360940  1
  P  P44  1  0.770242  0.655372  0.351391  1
  P  P45  1  0.074321  0.534352  0.385510  1
  P  P46  1  0.428116  0.027639  0.360886  1
  P  P47  1  0.769748  0.155117  0.351390  1
  P  P48  1  0.124079  0.137306  0.327465  1
  P  P49  1  0.207309  0.355198  0.424572  1
  P  P50  1  0.548772  0.483526  0.415018  1
  P  P51  1  0.890737  0.607289  0.405257  1
  P  P52  1  0.207336  0.855046  0.424713  1
  P  P53  1  0.548655  0.983467  0.415028  1
  P  P54  1  0.890192  0.107322  0.405351  1
  P  P55  1  0.378102  0.670080  0.419881  1
  P  P56  1  0.719627  0.795610  0.410222  1
  P  P57  1  0.074126  0.783462  0.385937  1
  P  P58  1  0.377940  0.170114  0.419744  1
  P  P59  1  0.719399  0.295645  0.410205  1
  P  P60  1  0.073816  0.284149  0.385906  1
  P  P61  1  0.207361  0.604850  0.424716  1
  P  P62  1  0.548792  0.733468  0.415056  1
  P  P63  1  0.890513  0.857263  0.405275  1
  P  P64  1  0.207360  0.105251  0.424685  1
  P  P65  1  0.548502  0.233543  0.414951  1
  P  P66  1  0.890275  0.357216  0.405349  1
  P  P67  1  0.377894  0.420147  0.419694  1
  P  P68  1  0.719701  0.545698  0.410201  1
  P  P69  1  0.023659  0.427417  0.444460  1
  P  P70  1  0.378058  0.920085  0.419873  1
  P  P71  1  0.719426  0.045596  0.410202  1
  P  P72  1  0.073690  0.034054  0.386137  1
  P  P73  1  0.156816  0.248685  0.483505  1
  P  P74  1  0.498260  0.374427  0.473718  1
  P  P75  1  0.840058  0.498533  0.464108  1
  P  P76  1  0.156772  0.748532  0.483506  1
  P  P77  1  0.498371  0.874376  0.473846  1
  P  P78  1  0.839875  0.998488  0.464156  1
  P  P79  1  0.327560  0.561869  0.478615  1
  P  P80  1  0.669197  0.686423  0.468994  1
  P  P81  1  0.023620  0.677094  0.444552  1
  P  P82  1  0.327622  0.061954  0.478659  1
  P  P83  1  0.669045  0.186413  0.468948  1
  P  P84  1  0.023449  0.177385  0.444623  1
  P  P85  1  0.156712  0.498525  0.483522  1
  P  P86  1  0.498388  0.624399  0.473822  1
  P  P87  1  0.840035  0.748496  0.464115  1
  P  P88  1  0.156826  0.998645  0.483493  1
  P  P89  1  0.498316  0.124383  0.473781  1
  P  P90  1  0.839851  0.248511  0.464171  1
  P  P91  1  0.327525  0.311947  0.478556  1
  P  P92  1  0.669159  0.436477  0.468955  1
  P  P93  1  0.973072  0.319448  0.503312  1
  P  P94  1  0.327576  0.811911  0.478672  1
  P  P95  1  0.669130  0.936374  0.468998  1
  P  P96  1  0.023449  0.927137  0.444644  1
  P  P97  1  0.106376  0.140985  0.542311  1
  P  P98  1  0.447893  0.265292  0.532521  1
  P  P99  1  0.789468  0.390476  0.522918  1
  P  P100  1  0.106124  0.640912  0.542308  1
  P  P101  1  0.447931  0.765260  0.532606  1
  P  P102  1  0.789461  0.890312  0.522983  1
  P  P103  1  0.276977  0.453231  0.537383  1
  P  P104  1  0.618705  0.577548  0.527759  1
  P  P105  1  0.972990  0.569243  0.503354  1
  P  P106  1  0.277187  0.953266  0.537444  1
  P  P107  1  0.618744  0.077468  0.527777  1
  P  P108  1  0.973049  0.069323  0.503343  1
  P  P109  1  0.106084  0.390954  0.542381  1
  P  P110  1  0.447857  0.515267  0.532526  1
  P  P111  1  0.789461  0.640408  0.522938  1
  P  P112  1  0.106355  0.890930  0.542261  1
  P  P113  1  0.448019  0.015287  0.532635  1
  P  P114  1  0.789436  0.140324  0.522973  1
  P  P115  1  0.277204  0.203304  0.537447  1
  P  P116  1  0.618644  0.327545  0.527676  1
  P  P117  1  0.922606  0.211198  0.562073  1
  P  P118  1  0.277060  0.703197  0.537416  1
  P  P119  1  0.618705  0.827520  0.527809  1
  P  P120  1  0.973000  0.819180  0.503365  1
  P  P121  1  0.056138  0.032575  0.601038  1
  P  P122  1  0.397814  0.156169  0.591421  1
  P  P123  1  0.738958  0.283665  0.581657  1
  P  P124  1  0.055435  0.532682  0.601161  1
  P  P125  1  0.397466  0.656140  0.591313  1
  P  P126  1  0.738923  0.783420  0.581809  1
  P  P127  1  0.226545  0.344226  0.596217  1
  P  P128  1  0.568213  0.469139  0.586460  1
  P  P129  1  0.922302  0.461007  0.562271  1
  P  P130  1  0.226789  0.844209  0.596181  1
  P  P131  1  0.568432  0.969121  0.586662  1
  P  P132  1  0.922638  0.960830  0.562112  1
  P  P133  1  0.055518  0.282542  0.601189  1
  P  P134  1  0.397343  0.406218  0.591256  1
  P  P135  1  0.738942  0.533655  0.581758  1
  P  P136  1  0.055917  0.782531  0.601021  1
  P  P137  1  0.397671  0.906143  0.591379  1
  P  P138  1  0.739051  0.033283  0.581835  1
  P  P139  1  0.226943  0.094309  0.596214  1
  P  P140  1  0.568287  0.219129  0.586484  1
  P  P141  1  0.872348  0.103442  0.620647  1
  P  P142  1  0.226529  0.594163  0.596155  1
  P  P143  1  0.568300  0.719127  0.586589  1
  P  P144  1  0.922370  0.710709  0.562230  1
  P  P145  1  0.006483  0.923661  0.659773  1
  P  P146  1  0.347667  0.047236  0.650182  1
  P  P147  1  0.688632  0.179288  0.640470  1
  P  P148  1  0.005068  0.423869  0.659943  1
  P  P149  1  0.347053  0.547222  0.650077  1
  P  P150  1  0.688632  0.679044  0.640725  1
  P  P151  1  0.176114  0.234832  0.655029  1
  P  P152  1  0.517753  0.361901  0.645221  1
  P  P153  1  0.871596  0.353028  0.621234  1
  P  P154  1  0.176498  0.734804  0.654963  1
  P  P155  1  0.518137  0.861651  0.645478  1
  P  P156  1  0.872217  0.852162  0.620955  1
  P  P157  1  0.004670  0.173609  0.660002  1
  P  P158  1  0.347246  0.297113  0.650140  1
  P  P159  1  0.688530  0.429307  0.640540  1
  P  P160  1  0.005117  0.674168  0.659888  1
  P  P161  1  0.347321  0.797239  0.650133  1
  P  P162  1  0.688711  0.928569  0.640824  1
  P  P163  1  0.176825  0.985005  0.654978  1
  P  P164  1  0.518702  0.111610  0.645592  1
  P  P165  1  0.823198  0.996679  0.678481  1
  P  P166  1  0.176190  0.484808  0.654984  1
  P  P167  1  0.517864  0.611756  0.645332  1
  P  P168  1  0.871520  0.602697  0.621389  1
  P  P169  1  0.956783  0.814654  0.717946  1
  P  P170  1  0.297189  0.938597  0.708336  1
  P  P171  1  0.640137  0.078108  0.699323  1
  P  P172  1  0.956436  0.314326  0.717649  1
  P  P173  1  0.297212  0.438208  0.708260  1
  P  P174  1  0.637390  0.578971  0.698728  1
  P  P175  1  0.125564  0.124608  0.713130  1
  P  P176  1  0.468047  0.255777  0.703534  1
  P  P177  1  0.820840  0.246143  0.680078  1
  P  P178  1  0.126747  0.624624  0.713102  1
  P  P179  1  0.467451  0.756192  0.703615  1
  P  P180  1  0.820952  0.745811  0.680564  1
  P  P181  1  0.954067  0.064206  0.717943  1
  P  P182  1  0.296934  0.188337  0.708287  1
  P  P183  1  0.637322  0.329365  0.698580  1
  P  P184  1  0.956584  0.564578  0.717647  1
  P  P185  1  0.297149  0.688445  0.708292  1
  P  P186  1  0.637650  0.828955  0.699358  1
  P  P187  1  0.126658  0.874991  0.713181  1
  P  P188  1  0.467924  0.006364  0.703675  1
  P  P189  1  0.774003  0.905235  0.735367  1
  P  P190  1  0.126492  0.374584  0.713183  1
  P  P191  1  0.467491  0.506072  0.703502  1
  P  P192  1  0.821086  0.495190  0.680262  1
