# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.95689436
_cell_length_b   15.52892363
_cell_length_c   46.00346390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.25537611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   14834.7160422
_cell_formula_units_Z   252
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  0.624089  0.254622  0.312527  1
  P  P2  1  0.124089  0.254622  0.312527  1
  P  P3  1  0.277438  0.226190  0.332644  1
  P  P4  1  0.457423  0.921288  0.312527  1
  P  P5  1  0.472026  0.281795  0.292867  1
  P  P6  1  0.610772  0.892856  0.332644  1
  P  P7  1  0.777438  0.226190  0.332644  1
  P  P8  1  0.957423  0.921288  0.312527  1
  P  P9  1  0.972026  0.281795  0.292867  1
  P  P10  1  0.110772  0.892856  0.332644  1
  P  P11  1  0.290756  0.587955  0.312527  1
  P  P12  1  0.305359  0.948462  0.292867  1
  P  P13  1  0.444105  0.559523  0.332644  1
  P  P14  1  0.638692  0.615128  0.292867  1
  P  P15  1  0.790756  0.587955  0.312527  1
  P  P16  1  0.805359  0.948462  0.292867  1
  P  P17  1  0.944105  0.559523  0.332644  1
  P  P18  1  0.138692  0.615128  0.292867  1
  P  P19  1  0.707423  0.421288  0.312527  1
  P  P20  1  0.207423  0.421288  0.312527  1
  P  P21  1  0.360772  0.392856  0.332644  1
  P  P22  1  0.540756  0.087955  0.312527  1
  P  P23  1  0.555359  0.448462  0.292867  1
  P  P24  1  0.694105  0.059523  0.332644  1
  P  P25  1  0.860772  0.392856  0.332644  1
  P  P26  1  0.040756  0.087955  0.312527  1
  P  P27  1  0.055359  0.448462  0.292867  1
  P  P28  1  0.194105  0.059523  0.332644  1
  P  P29  1  0.374089  0.754622  0.312527  1
  P  P30  1  0.388692  0.115128  0.292867  1
  P  P31  1  0.527438  0.726190  0.332644  1
  P  P32  1  0.722026  0.781795  0.292867  1
  P  P33  1  0.874089  0.754622  0.312527  1
  P  P34  1  0.888692  0.115128  0.292867  1
  P  P35  1  0.027438  0.726190  0.332644  1
  P  P36  1  0.222026  0.781795  0.292867  1
  P  P37  1  0.583564  0.170060  0.374604  1
  P  P38  1  0.083564  0.170060  0.374604  1
  P  P39  1  0.236331  0.142235  0.395390  1
  P  P40  1  0.416898  0.836727  0.374604  1
  P  P41  1  0.430388  0.198284  0.354239  1
  P  P42  1  0.569664  0.808902  0.395390  1
  P  P43  1  0.736331  0.142235  0.395390  1
  P  P44  1  0.916898  0.836727  0.374604  1
  P  P45  1  0.930388  0.198284  0.354239  1
  P  P46  1  0.069664  0.808902  0.395390  1
  P  P47  1  0.250231  0.503393  0.374604  1
  P  P48  1  0.263721  0.864950  0.354239  1
  P  P49  1  0.402998  0.475568  0.395390  1
  P  P50  1  0.597055  0.531617  0.354239  1
  P  P51  1  0.750231  0.503393  0.374604  1
  P  P52  1  0.763721  0.864950  0.354239  1
  P  P53  1  0.902998  0.475568  0.395390  1
  P  P54  1  0.097055  0.531617  0.354239  1
  P  P55  1  0.666898  0.336727  0.374604  1
  P  P56  1  0.166898  0.336727  0.374604  1
  P  P57  1  0.319664  0.308902  0.395390  1
  P  P58  1  0.500231  0.003393  0.374604  1
  P  P59  1  0.513721  0.364950  0.354239  1
  P  P60  1  0.652998  0.975568  0.395390  1
  P  P61  1  0.819664  0.308902  0.395390  1
  P  P62  1  1.000231  0.003393  0.374604  1
  P  P63  1  0.013721  0.364950  0.354239  1
  P  P64  1  0.152998  0.975568  0.395390  1
  P  P65  1  0.333564  0.670060  0.374604  1
  P  P66  1  0.347055  0.031617  0.354239  1
  P  P67  1  0.486331  0.642235  0.395390  1
  P  P68  1  0.680388  0.698284  0.354239  1
  P  P69  1  0.833564  0.670060  0.374604  1
  P  P70  1  0.847055  0.031617  0.354239  1
  P  P71  1  0.986331  0.642235  0.395390  1
  P  P72  1  0.180388  0.698284  0.354239  1
  P  P73  1  0.542378  0.086148  0.437436  1
  P  P74  1  0.042378  0.086148  0.437436  1
  P  P75  1  0.195294  0.058190  0.458268  1
  P  P76  1  0.375711  0.752814  0.437436  1
  P  P77  1  0.389364  0.114196  0.416798  1
  P  P78  1  0.528627  0.724857  0.458268  1
  P  P79  1  0.695294  0.058190  0.458268  1
  P  P80  1  0.875711  0.752814  0.437436  1
  P  P81  1  0.889364  0.114196  0.416798  1
  P  P82  1  0.028627  0.724857  0.458268  1
  P  P83  1  0.209045  0.419481  0.437436  1
  P  P84  1  0.222697  0.780863  0.416798  1
  P  P85  1  0.361960  0.391523  0.458268  1
  P  P86  1  0.556030  0.447530  0.416798  1
  P  P87  1  0.709045  0.419481  0.437436  1
  P  P88  1  0.722697  0.780863  0.416798  1
  P  P89  1  0.861960  0.391523  0.458268  1
  P  P90  1  0.056030  0.447530  0.416798  1
  P  P91  1  0.625711  0.252814  0.437436  1
  P  P92  1  0.125711  0.252814  0.437436  1
  P  P93  1  0.278627  0.224857  0.458268  1
  P  P94  1  0.459045  0.919481  0.437436  1
  P  P95  1  0.472697  0.280863  0.416798  1
  P  P96  1  0.611960  0.891523  0.458268  1
  P  P97  1  0.778627  0.224857  0.458268  1
  P  P98  1  0.959045  0.919481  0.437436  1
  P  P99  1  0.972697  0.280863  0.416798  1
  P  P100  1  0.111960  0.891523  0.458268  1
  P  P101  1  0.292378  0.586148  0.437436  1
  P  P102  1  0.306030  0.947530  0.416798  1
  P  P103  1  0.445294  0.558190  0.458268  1
  P  P104  1  0.639364  0.614196  0.416798  1
  P  P105  1  0.792378  0.586148  0.437436  1
  P  P106  1  0.806030  0.947530  0.416798  1
  P  P107  1  0.945294  0.558190  0.458268  1
  P  P108  1  0.139364  0.614196  0.416798  1
  P  P109  1  0.501284  0.002144  0.500235  1
  P  P110  1  0.001284  0.002144  0.500235  1
  P  P111  1  0.154251  0.974142  0.521020  1
  P  P112  1  0.334617  0.668811  0.500235  1
  P  P113  1  0.348316  0.030147  0.479450  1
  P  P114  1  0.487584  0.640808  0.521020  1
  P  P115  1  0.654251  0.974142  0.521020  1
  P  P116  1  0.834617  0.668811  0.500235  1
  P  P117  1  0.848316  0.030147  0.479450  1
  P  P118  1  0.987584  0.640808  0.521020  1
  P  P119  1  0.167950  0.335478  0.500235  1
  P  P120  1  0.181650  0.696813  0.479450  1
  P  P121  1  0.320917  0.307475  0.521020  1
  P  P122  1  0.514983  0.363480  0.479450  1
  P  P123  1  0.667950  0.335478  0.500235  1
  P  P124  1  0.681650  0.696813  0.479450  1
  P  P125  1  0.820917  0.307475  0.521020  1
  P  P126  1  0.014983  0.363480  0.479450  1
  P  P127  1  0.584617  0.168811  0.500235  1
  P  P128  1  0.084617  0.168811  0.500235  1
  P  P129  1  0.237584  0.140808  0.521020  1
  P  P130  1  0.417950  0.835478  0.500235  1
  P  P131  1  0.431650  0.196813  0.479450  1
  P  P132  1  0.570917  0.807475  0.521020  1
  P  P133  1  0.737584  0.140808  0.521020  1
  P  P134  1  0.917950  0.835478  0.500235  1
  P  P135  1  0.931650  0.196813  0.479450  1
  P  P136  1  0.070917  0.807475  0.521020  1
  P  P137  1  0.251284  0.502144  0.500235  1
  P  P138  1  0.264983  0.863480  0.479450  1
  P  P139  1  0.404251  0.474142  0.521020  1
  P  P140  1  0.598316  0.530147  0.479450  1
  P  P141  1  0.751284  0.502144  0.500235  1
  P  P142  1  0.764983  0.863480  0.479450  1
  P  P143  1  0.904251  0.474142  0.521020  1
  P  P144  1  0.098316  0.530147  0.479450  1
  P  P145  1  0.460189  0.918141  0.563035  1
  P  P146  1  0.960189  0.918141  0.563035  1
  P  P147  1  0.113203  0.890092  0.583673  1
  P  P148  1  0.293523  0.584807  0.563035  1
  P  P149  1  0.307274  0.946098  0.542202  1
  P  P150  1  0.446537  0.556759  0.583673  1
  P  P151  1  0.613203  0.890092  0.583673  1
  P  P152  1  0.793523  0.584807  0.563035  1
  P  P153  1  0.807274  0.946098  0.542202  1
  P  P154  1  0.946537  0.556759  0.583673  1
  P  P155  1  0.126856  0.251474  0.563035  1
  P  P156  1  0.140607  0.612765  0.542202  1
  P  P157  1  0.279870  0.223425  0.583673  1
  P  P158  1  0.473940  0.279432  0.542202  1
  P  P159  1  0.626856  0.251474  0.563035  1
  P  P160  1  0.640607  0.612765  0.542202  1
  P  P161  1  0.779870  0.223425  0.583673  1
  P  P162  1  0.973940  0.279432  0.542202  1
  P  P163  1  0.543523  0.084807  0.563035  1
  P  P164  1  0.043523  0.084807  0.563035  1
  P  P165  1  0.196537  0.056759  0.583673  1
  P  P166  1  0.376856  0.751474  0.563035  1
  P  P167  1  0.390607  0.112765  0.542202  1
  P  P168  1  0.529870  0.723425  0.583673  1
  P  P169  1  0.696537  0.056759  0.583673  1
  P  P170  1  0.876856  0.751474  0.563035  1
  P  P171  1  0.890607  0.112765  0.542202  1
  P  P172  1  0.029870  0.723425  0.583673  1
  P  P173  1  0.210189  0.418141  0.563035  1
  P  P174  1  0.223940  0.779432  0.542202  1
  P  P175  1  0.363203  0.390092  0.583673  1
  P  P176  1  0.557274  0.446098  0.542202  1
  P  P177  1  0.710189  0.418141  0.563035  1
  P  P178  1  0.723940  0.779432  0.542202  1
  P  P179  1  0.863203  0.390092  0.583673  1
  P  P180  1  0.057274  0.446098  0.542202  1
  P  P181  1  0.419003  0.834228  0.625866  1
  P  P182  1  0.919003  0.834228  0.625866  1
  P  P183  1  0.072179  0.806005  0.646231  1
  P  P184  1  0.252336  0.500895  0.625866  1
  P  P185  1  0.266236  0.862053  0.605081  1
  P  P186  1  0.405512  0.472672  0.646231  1
  P  P187  1  0.572179  0.806005  0.646231  1
  P  P188  1  0.752336  0.500895  0.625866  1
  P  P189  1  0.766236  0.862053  0.605081  1
  P  P190  1  0.905512  0.472672  0.646231  1
  P  P191  1  0.085669  0.167562  0.625866  1
  P  P192  1  0.099569  0.528720  0.605081  1
  P  P193  1  0.238846  0.139338  0.646231  1
  P  P194  1  0.432903  0.195387  0.605081  1
  P  P195  1  0.585669  0.167562  0.625866  1
  P  P196  1  0.599569  0.528720  0.605081  1
  P  P197  1  0.738846  0.139338  0.646231  1
  P  P198  1  0.932903  0.195387  0.605081  1
  P  P199  1  0.502336  1.000895  0.625866  1
  P  P200  1  0.002336  1.000895  0.625866  1
  P  P201  1  0.155512  0.972672  0.646231  1
  P  P202  1  0.335669  0.667562  0.625866  1
  P  P203  1  0.349569  0.028720  0.605081  1
  P  P204  1  0.488846  0.639338  0.646231  1
  P  P205  1  0.655512  0.972672  0.646231  1
  P  P206  1  0.835669  0.667562  0.625866  1
  P  P207  1  0.849569  0.028720  0.605081  1
  P  P208  1  0.988846  0.639338  0.646231  1
  P  P209  1  0.169003  0.334228  0.625866  1
  P  P210  1  0.182903  0.695387  0.605081  1
  P  P211  1  0.322179  0.306005  0.646231  1
  P  P212  1  0.516236  0.362053  0.605081  1
  P  P213  1  0.669003  0.334228  0.625866  1
  P  P214  1  0.682903  0.695387  0.605081  1
  P  P215  1  0.822179  0.306005  0.646231  1
  P  P216  1  0.016236  0.362053  0.605081  1
  P  P217  1  0.378478  0.749667  0.687943  1
  P  P218  1  0.878478  0.749667  0.687943  1
  P  P219  1  0.030542  0.722493  0.707603  1
  P  P220  1  0.211811  0.416333  0.687943  1
  P  P221  1  0.225129  0.778099  0.667826  1
  P  P222  1  0.363875  0.389160  0.707603  1
  P  P223  1  0.530542  0.722493  0.707603  1
  P  P224  1  0.711811  0.416333  0.687943  1
  P  P225  1  0.725129  0.778099  0.667826  1
  P  P226  1  0.863875  0.389160  0.707603  1
  P  P227  1  0.045144  0.083000  0.687943  1
  P  P228  1  0.058462  0.444765  0.667826  1
  P  P229  1  0.197208  0.055827  0.707603  1
  P  P230  1  0.391796  0.111432  0.667826  1
  P  P231  1  0.545144  0.083000  0.687943  1
  P  P232  1  0.558462  0.444765  0.667826  1
  P  P233  1  0.697208  0.055827  0.707603  1
  P  P234  1  0.891796  0.111432  0.667826  1
  P  P235  1  0.461811  0.916333  0.687943  1
  P  P236  1  0.961811  0.916333  0.687943  1
  P  P237  1  0.113875  0.889160  0.707603  1
  P  P238  1  0.295144  0.583000  0.687943  1
  P  P239  1  0.308462  0.944765  0.667826  1
  P  P240  1  0.447208  0.555827  0.707603  1
  P  P241  1  0.613875  0.889160  0.707603  1
  P  P242  1  0.795144  0.583000  0.687943  1
  P  P243  1  0.808462  0.944765  0.667826  1
  P  P244  1  0.947208  0.555827  0.707603  1
  P  P245  1  0.128478  0.249667  0.687943  1
  P  P246  1  0.141796  0.611432  0.667826  1
  P  P247  1  0.280542  0.222493  0.707603  1
  P  P248  1  0.475129  0.278099  0.667826  1
  P  P249  1  0.628478  0.249667  0.687943  1
  P  P250  1  0.641796  0.611432  0.667826  1
  P  P251  1  0.780542  0.222493  0.707603  1
  P  P252  1  0.975129  0.278099  0.667826  1
