# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.11152427
_cell_length_b   51.61244786
_cell_length_c   53.63249526
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.09834391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P216
_cell_volume   46894.1336399
_cell_formula_units_Z   216
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  0.531968  0.342380  0.338437  1
  P  P2  1  0.255991  0.021990  0.291118  1
  P  P3  1  0.807557  0.662002  0.386056  1
  P  P4  1  0.605303  0.454188  0.376311  1
  P  P5  1  0.329713  0.134566  0.328692  1
  P  P6  1  0.880892  0.773810  0.423930  1
  P  P7  1  0.415311  0.294026  0.357508  1
  P  P8  1  0.142036  0.974769  0.309774  1
  P  P9  1  0.690901  0.613648  0.405127  1
  P  P10  1  0.721959  0.502542  0.357240  1
  P  P11  1  0.446370  0.182920  0.309621  1
  P  P12  1  0.997549  0.822164  0.404859  1
  P  P13  1  0.598334  0.293956  0.361424  1
  P  P14  1  0.320820  0.974703  0.313605  1
  P  P15  1  0.873924  0.613578  0.409043  1
  P  P16  1  0.538937  0.502612  0.353324  1
  P  P17  1  0.263347  0.182990  0.305705  1
  P  P18  1  0.814526  0.822234  0.400943  1
  P  P19  1  0.515384  0.289261  0.309087  1
  P  P20  1  0.066563  0.928505  0.404325  1
  P  P21  1  0.790974  0.608883  0.356706  1
  P  P22  1  0.621887  0.507307  0.405661  1
  P  P23  1  0.346297  0.187685  0.358042  1
  P  P24  1  0.070709  0.868028  0.310408  1
  P  P25  1  0.992086  0.396316  0.297757  1
  P  P26  1  0.543265  0.035560  0.392995  1
  P  P27  1  0.267675  0.715938  0.345376  1
  P  P28  1  0.145185  0.400252  0.416990  1
  P  P29  1  0.869596  0.080630  0.369371  1
  P  P30  1  0.596369  0.761275  0.321592  1
  P  P31  1  0.813481  0.404180  0.297223  1
  P  P32  1  0.364659  0.043424  0.392461  1
  P  P33  1  0.089070  0.723802  0.344842  1
  P  P34  1  0.323790  0.392388  0.417525  1
  P  P35  1  0.048201  0.072766  0.369906  1
  P  P36  1  0.770839  0.753593  0.322114  1
  P  P37  1  0.863764  0.352891  0.319796  1
  P  P38  1  0.414943  0.992135  0.415035  1
  P  P39  1  0.139353  0.672513  0.367416  1
  P  P40  1  0.273507  0.443677  0.394951  1
  P  P41  1  0.997917  0.124055  0.347332  1
  P  P42  1  0.721708  0.803679  0.300032  1
  P  P43  1  0.906321  0.406409  0.347840  1
  P  P44  1  0.630702  0.086750  0.300206  1
  P  P45  1  0.181910  0.726030  0.395459  1
  P  P46  1  0.230950  0.390159  0.366907  1
  P  P47  1  0.955361  0.070538  0.319288  1
  P  P48  1  0.506539  0.709781  0.414526  1
  P  P49  1  0.058027  0.233561  0.390096  1
  P  P50  1  0.782438  0.913939  0.342477  1
  P  P51  1  0.506848  0.594317  0.294858  1
  P  P52  1  0.079994  0.562275  0.324563  1
  P  P53  1  0.630423  0.202251  0.419890  1
  P  P54  1  0.354833  0.882629  0.372271  1
  P  P55  1  0.149054  0.293672  0.294859  1
  P  P56  1  0.700138  0.932894  0.390112  1
  P  P57  1  0.424549  0.613272  0.342493  1
  P  P58  1  0.988311  0.502918  0.419873  1
  P  P59  1  0.712722  0.183296  0.372254  1
  P  P60  1  0.437132  0.863674  0.324635  1
  P  P61  1  0.928209  0.270527  0.384610  1
  P  P62  1  0.652619  0.950905  0.336991  1
  P  P63  1  0.377030  0.631283  0.289371  1
  P  P64  1  0.206793  0.526161  0.329934  1
  P  P65  1  0.760241  0.165285  0.425376  1
  P  P66  1  0.484652  0.845663  0.377757  1
  P  P67  1  0.094043  0.292266  0.406993  1
  P  P68  1  0.818454  0.972644  0.359374  1
  P  P69  1  0.542864  0.653022  0.311755  1
  P  P70  1  0.044841  0.504936  0.308032  1
  P  P71  1  0.594407  0.143546  0.402993  1
  P  P72  1  0.318817  0.823924  0.355374  1
  P  P73  1  0.358736  0.301246  0.481294  1
  P  P74  1  0.083147  0.981624  0.433675  1
  P  P75  1  0.634326  0.620868  0.528913  1
  P  P76  1  0.432071  0.413054  0.519168  1
  P  P77  1  0.156482  0.093432  0.471549  1
  P  P78  1  0.707660  0.732676  0.566787  1
  P  P79  1  0.242080  0.252892  0.500365  1
  P  P80  1  0.966490  0.933270  0.452746  1
  P  P81  1  0.517669  0.572514  0.547984  1
  P  P82  1  0.548728  0.461407  0.500097  1
  P  P83  1  0.273138  0.141785  0.452478  1
  P  P84  1  0.824317  0.781029  0.547716  1
  P  P85  1  0.425102  0.252822  0.504281  1
  P  P86  1  0.149513  0.933200  0.456662  1
  P  P87  1  0.700692  0.572444  0.551900  1
  P  P88  1  0.365705  0.461478  0.496181  1
  P  P89  1  0.090115  0.141856  0.448562  1
  P  P90  1  0.641294  0.781100  0.543800  1
  P  P91  1  0.342152  0.248127  0.451944  1
  P  P92  1  0.893331  0.887371  0.547182  1
  P  P93  1  0.617742  0.567749  0.499563  1
  P  P94  1  0.448655  0.466173  0.548518  1
  P  P95  1  0.173065  0.146551  0.500899  1
  P  P96  1  0.897476  0.826929  0.453280  1
  P  P97  1  0.818854  0.355182  0.440614  1
  P  P98  1  0.370033  0.994426  0.535853  1
  P  P99  1  0.094443  0.674804  0.488234  1
  P  P100  1  0.971953  0.359118  0.559848  1
  P  P101  1  0.696364  0.039496  0.512229  1
  P  P102  1  0.420774  0.719874  0.464609  1
  P  P103  1  0.640249  0.363046  0.440080  1
  P  P104  1  0.191428  0.002290  0.535318  1
  P  P105  1  0.915838  0.682668  0.487699  1
  P  P106  1  0.150558  0.351253  0.560382  1
  P  P107  1  0.874969  0.031631  0.512763  1
  P  P108  1  0.599380  0.712010  0.465144  1
  P  P109  1  0.690532  0.311757  0.462654  1
  P  P110  1  0.241711  0.951000  0.557892  1
  P  P111  1  0.966122  0.631379  0.510273  1
  P  P112  1  0.100275  0.402543  0.537808  1
  P  P113  1  0.824686  0.082921  0.490189  1
  P  P114  1  0.549096  0.763299  0.442570  1
  P  P115  1  0.733089  0.365274  0.490698  1
  P  P116  1  0.457500  0.045652  0.443078  1
  P  P117  1  0.008678  0.684896  0.538317  1
  P  P118  1  0.057718  0.349025  0.509765  1
  P  P119  1  0.782129  0.029403  0.462145  1
  P  P120  1  0.333307  0.668647  0.557384  1
  P  P121  1  0.884795  0.192427  0.532953  1
  P  P122  1  0.609206  0.872805  0.485334  1
  P  P123  1  0.333616  0.553183  0.437715  1
  P  P124  1  0.906012  0.521873  0.467509  1
  P  P125  1  0.457191  0.161117  0.562747  1
  P  P126  1  0.181601  0.841495  0.515128  1
  P  P127  1  0.975728  0.252516  0.437731  1
  P  P128  1  0.526907  0.891760  0.532970  1
  P  P129  1  0.251317  0.572138  0.485350  1
  P  P130  1  0.815079  0.461784  0.562731  1
  P  P131  1  0.539490  0.142162  0.515112  1
  P  P132  1  0.263901  0.822540  0.467493  1
  P  P133  1  0.754977  0.229393  0.527467  1
  P  P134  1  0.479387  0.909771  0.479848  1
  P  P135  1  0.203798  0.590149  0.432229  1
  P  P136  1  0.035830  0.484907  0.472995  1
  P  P137  1  0.587009  0.124151  0.568233  1
  P  P138  1  0.311420  0.804529  0.520614  1
  P  P139  1  0.920811  0.251132  0.549850  1
  P  P140  1  0.645222  0.931510  0.502231  1
  P  P141  1  0.369632  0.611888  0.454612  1
  P  P142  1  0.869996  0.463168  0.450612  1
  P  P143  1  0.421175  0.102412  0.545850  1
  P  P144  1  0.145585  0.782790  0.498231  1
  P  P145  1  0.185504  0.260112  0.624151  1
  P  P146  1  0.909915  0.940490  0.576532  1
  P  P147  1  0.461094  0.579734  0.671770  1
  P  P148  1  0.258839  0.371920  0.662025  1
  P  P149  1  0.983250  0.052298  0.614406  1
  P  P150  1  0.534816  0.692310  0.709344  1
  P  P151  1  0.068848  0.211758  0.643222  1
  P  P152  1  0.793258  0.892136  0.595603  1
  P  P153  1  0.344437  0.531380  0.690841  1
  P  P154  1  0.375496  0.420273  0.642954  1
  P  P155  1  0.099906  0.100651  0.595335  1
  P  P156  1  0.648772  0.739531  0.690688  1
  P  P157  1  0.251870  0.211688  0.647138  1
  P  P158  1  0.976281  0.892066  0.599519  1
  P  P159  1  0.527460  0.531310  0.694757  1
  P  P160  1  0.192473  0.420343  0.639038  1
  P  P161  1  0.916884  0.100721  0.591419  1
  P  P162  1  0.469987  0.739596  0.686857  1
  P  P163  1  0.168921  0.206993  0.594801  1
  P  P164  1  0.720098  0.846272  0.690054  1
  P  P165  1  0.444510  0.526615  0.642420  1
  P  P166  1  0.275423  0.425038  0.691375  1
  P  P167  1  0.999834  0.105416  0.643756  1
  P  P168  1  0.724244  0.785795  0.596137  1
  P  P169  1  0.645622  0.314048  0.583472  1
  P  P170  1  0.194438  0.953024  0.678870  1
  P  P171  1  0.921212  0.633670  0.631091  1
  P  P172  1  0.798721  0.317983  0.702705  1
  P  P173  1  0.523132  0.998361  0.655086  1
  P  P174  1  0.247543  0.678740  0.607467  1
  P  P175  1  0.467017  0.321912  0.582937  1
  P  P176  1  0.019968  0.960707  0.678348  1
  P  P177  1  0.742606  0.641534  0.630556  1
  P  P178  1  0.977327  0.310119  0.703240  1
  P  P179  1  0.701737  0.990497  0.655621  1
  P  P180  1  0.426148  0.670875  0.608001  1
  P  P181  1  0.517300  0.270622  0.605511  1
  P  P182  1  0.069099  0.910620  0.700430  1
  P  P183  1  0.792890  0.590244  0.653130  1
  P  P184  1  0.927043  0.361409  0.680666  1
  P  P185  1  0.651454  0.041787  0.633047  1
  P  P186  1  0.375864  0.722165  0.585427  1
  P  P187  1  0.559857  0.324140  0.633555  1
  P  P188  1  0.284268  0.004518  0.585936  1
  P  P189  1  0.835447  0.643762  0.681174  1
  P  P190  1  0.884486  0.307891  0.652622  1
  P  P191  1  0.608897  0.988269  0.605003  1
  P  P192  1  0.160106  0.627550  0.700256  1
  P  P193  1  0.710813  0.152025  0.675899  1
  P  P194  1  0.435974  0.831671  0.628191  1
  P  P195  1  0.160385  0.512049  0.580572  1
  P  P196  1  0.732780  0.480739  0.610366  1
  P  P197  1  0.283959  0.119983  0.705604  1
  P  P198  1  0.008369  0.800361  0.657985  1
  P  P199  1  0.802496  0.211382  0.580589  1
  P  P200  1  0.353675  0.850626  0.675827  1
  P  P201  1  0.078085  0.531004  0.628208  1
  P  P202  1  0.641753  0.420628  0.705603  1
  P  P203  1  0.366258  0.101028  0.657969  1
  P  P204  1  0.090669  0.781406  0.610350  1
  P  P205  1  0.584014  0.188139  0.670528  1
  P  P206  1  0.306155  0.868637  0.622705  1
  P  P207  1  0.030566  0.549015  0.575086  1
  P  P208  1  0.862599  0.443773  0.615852  1
  P  P209  1  0.413777  0.083016  0.711091  1
  P  P210  1  0.138188  0.763395  0.663472  1
  P  P211  1  0.745966  0.209364  0.692430  1
  P  P212  1  0.471990  0.890376  0.645089  1
  P  P213  1  0.196401  0.570754  0.597469  1
  P  P214  1  0.696764  0.422033  0.593469  1
  P  P215  1  0.247943  0.061277  0.688707  1
  P  P216  1  0.972354  0.741655  0.641088  1
