# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29936976
_cell_length_b   41.52716741
_cell_length_c   54.84662793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.34273726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   23314.5119869
_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  0.464034  0.041336  0.354359  1
  P  P2  1  0.746915  0.035041  0.328378  1
  P  P3  1  0.029318  0.652258  0.391643  1
  P  P4  1  0.551755  0.479811  0.291284  1
  P  P5  1  0.031124  0.477798  0.365095  1
  P  P6  1  0.206996  0.043586  0.319437  1
  P  P7  1  0.535363  0.417714  0.398463  1
  P  P8  1  0.540014  0.647284  0.317495  1
  P  P9  1  0.572151  0.412547  0.318739  1
  P  P10  1  0.771858  0.428410  0.271499  1
  P  P11  1  0.315242  0.469022  0.389125  1
  P  P12  1  0.244305  0.918887  0.390709  1
  P  P13  1  0.728728  0.155300  0.399367  1
  P  P14  1  1.006533  0.859797  0.391643  1
  P  P15  1  0.245455  0.143228  0.311652  1
  P  P16  1  0.537281  0.371883  0.271349  1
  P  P17  1  0.828855  0.468470  0.319437  1
  P  P18  1  0.244365  0.602402  0.402749  1
  P  P19  1  1.004727  0.034257  0.365095  1
  P  P20  1  0.965684  0.983545  0.318614  1
  P  P21  1  0.728045  0.092548  0.289335  1
  P  P22  1  0.961973  0.044968  0.281254  1
  P  P23  1  0.791546  0.593168  0.390709  1
  P  P24  1  0.792083  0.415193  0.363387  1
  P  P25  1  0.789286  0.641095  0.281211  1
  P  P26  1  0.050342  0.591659  0.354742  1
  P  P27  1  0.246565  0.870960  0.281211  1
  P  P28  1  0.286433  0.650951  0.355153  1
  P  P29  1  0.511223  0.972687  0.329689  1
  P  P30  1  0.532538  0.910094  0.366525  1
  P  P31  1  0.288936  0.477014  0.328378  1
  P  P32  1  1.009495  0.541199  0.401621  1
  P  P33  1  0.749418  0.861104  0.355153  1
  P  P34  1  0.988309  0.095064  0.326717  1
  P  P35  1  0.307806  0.419508  0.289335  1
  P  P36  1  0.325766  0.406252  0.352606  1
  P  P37  1  0.760462  0.600462  0.330645  1
  P  P38  1  0.073878  0.467087  0.281254  1
  P  P39  1  0.026356  0.970857  0.401621  1
  P  P40  1  0.956423  0.105463  0.387864  1
  P  P41  1  0.524628  0.539368  0.329689  1
  P  P42  1  0.484096  0.032245  0.291284  1
  P  P43  1  0.474572  0.662309  0.403792  1
  P  P44  1  0.019548  0.598908  0.295862  1
  P  P45  1  0.481287  0.980458  0.390277  1
  P  P46  1  0.275389  0.911593  0.330645  1
  P  P47  1  0.720609  0.043033  0.389125  1
  P  P48  1  0.813329  0.531059  0.354353  1
  P  P49  1  0.495836  0.864771  0.317495  1
  P  P50  1  0.222522  0.980996  0.354353  1
  P  P51  1  0.500488  0.094341  0.398463  1
  P  P52  1  0.559067  0.584108  0.282100  1
  P  P53  1  1.015588  0.123299  0.271903  1
  P  P54  1  0.557447  0.357045  0.360684  1
  P  P55  1  0.070167  0.528511  0.318614  1
  P  P56  1  0.498569  0.140172  0.271349  1
  P  P57  1  0.243768  0.096862  0.363387  1
  P  P58  1  0.476784  0.927947  0.282100  1
  P  P59  1  0.710085  0.105803  0.352606  1
  P  P60  1  0.985509  0.920396  0.354742  1
  P  P61  1  0.791486  0.909654  0.402749  1
  P  P62  1  0.047542  0.416992  0.326717  1
  P  P63  1  0.790396  0.368827  0.311652  1
  P  P64  1  0.319518  0.525617  0.282292  1
  P  P65  1  0.246901  0.973088  0.294024  1
  P  P66  1  0.561278  0.849746  0.403792  1
  P  P67  1  0.478404  0.155011  0.360684  1
  P  P68  1  0.463700  0.099508  0.318739  1
  P  P69  1  0.261909  0.032912  0.400321  1
  P  P70  1  0.788950  0.538968  0.294024  1
  P  P71  1  0.263993  0.083645  0.271499  1
  P  P72  1  0.079427  0.406592  0.387864  1
  P  P73  1  0.768159  0.972088  0.365723  1
  P  P74  1  0.729685  0.922921  0.318263  1
  P  P75  1  0.306166  0.589134  0.318263  1
  P  P76  1  0.773942  0.479143  0.400321  1
  P  P77  1  0.267691  0.539967  0.365723  1
  P  P78  1  1.016303  0.913148  0.295862  1
  P  P79  1  0.554564  0.531598  0.390277  1
  P  P80  1  0.716332  0.986438  0.282292  1
  P  P81  1  0.503313  0.601962  0.366525  1
  P  P82  1  0.307123  0.356755  0.399367  1
  P  P83  1  0.020263  0.388756  0.271903  1
  P  P84  1  0.571817  0.470719  0.354359  1
  P  P85  1  0.493100  0.042202  0.495634  1
  P  P86  1  0.778984  0.032400  0.471932  1
  P  P87  1  0.993191  0.654425  0.534744  1
  P  P88  1  0.515347  0.479534  0.436048  1
  P  P89  1  0.997747  0.480043  0.507435  1
  P  P90  1  0.234903  0.042332  0.460260  1
  P  P91  1  0.503030  0.419151  0.542020  1
  P  P92  1  0.506350  0.654172  0.462838  1
  P  P93  1  0.564458  0.407197  0.458445  1
  P  P94  1  0.825191  0.408219  0.423115  1
  P  P95  1  0.283814  0.470226  0.531402  1
  P  P96  1  0.278259  0.917641  0.533721  1
  P  P97  1  0.763624  0.153691  0.542188  1
  P  P98  1  0.042660  0.857630  0.534744  1
  P  P99  1  0.252533  0.154577  0.468857  1
  P  P100  1  0.600892  0.348077  0.419345  1
  P  P101  1  0.800948  0.469723  0.460260  1
  P  P102  1  0.210660  0.603836  0.545653  1
  P  P103  1  0.038104  0.032012  0.507435  1
  P  P104  1  0.997747  0.980043  0.461332  1
  P  P105  1  0.757592  0.094415  0.435046  1
  P  P106  1  0.976096  0.042618  0.424817  1
  P  P107  1  0.757592  0.594415  0.533721  1
  P  P108  1  0.761365  0.418065  0.506367  1
  P  P109  1  0.763624  0.653691  0.426579  1
  P  P110  1  1.015717  0.594146  0.497890  1
  P  P111  1  0.272227  0.858364  0.426579  1
  P  P112  1  0.252533  0.654577  0.499911  1
  P  P113  1  0.542751  0.969853  0.473133  1
  P  P114  1  0.564458  0.907197  0.510323  1
  P  P115  1  0.256867  0.479655  0.471932  1
  P  P116  1  0.976096  0.542618  0.543951  1
  P  P117  1  0.783318  0.857478  0.499911  1
  P  P118  1  1.015717  0.094146  0.470877  1
  P  P119  1  0.278259  0.417641  0.435046  1
  P  P120  1  0.307639  0.407482  0.494607  1
  P  P121  1  0.728212  0.604573  0.474160  1
  P  P122  1  0.059755  0.469437  0.424817  1
  P  P123  1  0.059755  0.969437  0.543951  1
  P  P124  1  0.985528  0.103876  0.530284  1
  P  P125  1  0.493100  0.542202  0.473133  1
  P  P126  1  0.520504  0.032522  0.436048  1
  P  P127  1  0.434959  0.663978  0.549422  1
  P  P128  1  0.985528  0.603876  0.438484  1
  P  P129  1  0.515347  0.979534  0.532720  1
  P  P130  1  0.307639  0.907482  0.474160  1
  P  P131  1  0.752037  0.041829  0.531402  1
  P  P132  1  0.778984  0.532400  0.496836  1
  P  P133  1  0.529500  0.857884  0.462838  1
  P  P134  1  0.256867  0.979655  0.496836  1
  P  P135  1  0.532821  0.092904  0.542020  1
  P  P136  1  0.532821  0.592904  0.426748  1
  P  P137  1  0.993191  0.154425  0.434023  1
  P  P138  1  0.529500  0.357884  0.505929  1
  P  P139  1  0.038104  0.532012  0.461332  1
  P  P140  1  0.434959  0.163978  0.419345  1
  P  P141  1  0.274485  0.093991  0.506367  1
  P  P142  1  0.503030  0.919151  0.426748  1
  P  P143  1  0.728212  0.104573  0.494607  1
  P  P144  1  0.020134  0.917909  0.497890  1
  P  P145  1  0.825191  0.908219  0.545653  1
  P  P146  1  0.020134  0.417909  0.470877  1
  P  P147  1  0.783318  0.357478  0.468857  1
  P  P148  1  0.295938  0.531307  0.425848  1
  P  P149  1  0.283814  0.970226  0.437365  1
  P  P150  1  0.600892  0.848077  0.549422  1
  P  P151  1  0.506350  0.154172  0.505929  1
  P  P152  1  0.471393  0.104858  0.458445  1
  P  P153  1  0.295938  0.031307  0.542920  1
  P  P154  1  0.752037  0.541829  0.437365  1
  P  P155  1  0.210660  0.103836  0.423115  1
  P  P156  1  0.050323  0.408179  0.530284  1
  P  P157  1  0.800948  0.969723  0.508508  1
  P  P158  1  0.761365  0.918065  0.462400  1
  P  P159  1  0.274485  0.593991  0.462400  1
  P  P160  1  0.739913  0.480748  0.542920  1
  P  P161  1  0.234903  0.542332  0.508508  1
  P  P162  1  0.050323  0.908179  0.438484  1
  P  P163  1  0.520504  0.532522  0.532720  1
  P  P164  1  0.739913  0.980748  0.425848  1
  P  P165  1  0.471393  0.604858  0.510323  1
  P  P166  1  0.272227  0.358364  0.542188  1
  P  P167  1  0.042660  0.357630  0.434023  1
  P  P168  1  0.542751  0.469853  0.495634  1
  P  P169  1  0.524628  0.039368  0.639078  1
  P  P170  1  0.813329  0.031059  0.614415  1
  P  P171  1  1.015588  0.623299  0.696865  1
  P  P172  1  0.481287  0.480458  0.578491  1
  P  P173  1  0.965684  0.483545  0.650154  1
  P  P174  1  0.267691  0.039967  0.603045  1
  P  P175  1  0.476784  0.427947  0.686668  1
  P  P176  1  0.478404  0.655011  0.608084  1
  P  P177  1  0.532538  0.410094  0.602243  1
  P  P178  1  0.791486  0.409654  0.566019  1
  P  P179  1  0.246901  0.473088  0.674744  1
  P  P180  1  0.307806  0.919508  0.679433  1
  P  P181  1  0.789286  0.141095  0.687557  1
  P  P182  1  0.020263  0.888756  0.696865  1
  P  P183  1  0.286433  0.150951  0.613615  1
  P  P184  1  0.561278  0.349746  0.564975  1
  P  P185  1  0.768159  0.472088  0.603045  1
  P  P186  1  0.263993  0.583645  0.697269  1
  P  P187  1  0.070167  0.028511  0.650154  1
  P  P188  1  0.031124  0.977798  0.603673  1
  P  P189  1  0.791546  0.093168  0.578059  1
  P  P190  1  1.009495  0.041199  0.567147  1
  P  P191  1  0.728045  0.592548  0.679433  1
  P  P192  1  0.729685  0.422921  0.650504  1
  P  P193  1  0.728728  0.655300  0.569401  1
  P  P194  1  0.988309  0.595064  0.642051  1
  P  P195  1  0.307123  0.856755  0.569401  1
  P  P196  1  0.245455  0.643228  0.657116  1
  P  P197  1  0.571817  0.970719  0.614409  1
  P  P198  1  0.572151  0.912547  0.650029  1
  P  P199  1  0.222522  0.480996  0.614415  1
  P  P200  1  0.961973  0.544968  0.687513  1
  P  P201  1  0.790396  0.868827  0.657116  1
  P  P202  1  0.050342  0.091659  0.614025  1
  P  P203  1  0.244305  0.418887  0.578059  1
  P  P204  1  0.275389  0.411593  0.638123  1
  P  P205  1  0.710085  0.605803  0.616162  1
  P  P206  1  0.026356  0.470857  0.567147  1
  P  P207  1  0.073878  0.967087  0.687513  1
  P  P208  1  0.019548  0.098908  0.672906  1
  P  P209  1  0.464034  0.541336  0.614409  1
  P  P210  1  0.554564  0.031598  0.578491  1
  P  P211  1  0.498569  0.640172  0.697418  1
  P  P212  1  0.956423  0.605463  0.580903  1
  P  P213  1  0.551755  0.979811  0.677484  1
  P  P214  1  0.325766  0.906252  0.616162  1
  P  P215  1  0.788950  0.038968  0.674744  1
  P  P216  1  0.746915  0.535041  0.640390  1
  P  P217  1  0.557447  0.857045  0.608084  1
  P  P218  1  0.288936  0.977014  0.640390  1
  P  P219  1  0.559067  0.084108  0.686668  1
  P  P220  1  0.500488  0.594341  0.570305  1
  P  P221  1  0.029318  0.152258  0.577124  1
  P  P222  1  0.495836  0.364771  0.651273  1
  P  P223  1  1.004727  0.534257  0.603673  1
  P  P224  1  0.474572  0.162309  0.564975  1
  P  P225  1  0.306166  0.089134  0.650504  1
  P  P226  1  0.535363  0.917714  0.570305  1
  P  P227  1  0.760462  0.100462  0.638123  1
  P  P228  1  0.047542  0.916992  0.642051  1
  P  P229  1  0.771858  0.928410  0.697269  1
  P  P230  1  0.985509  0.420396  0.614025  1
  P  P231  1  0.749418  0.361104  0.613615  1
  P  P232  1  0.261909  0.532912  0.568446  1
  P  P233  1  0.315242  0.969022  0.579643  1
  P  P234  1  0.537281  0.871883  0.697418  1
  P  P235  1  0.540014  0.147284  0.651273  1
  P  P236  1  0.503313  0.101962  0.602243  1
  P  P237  1  0.319518  0.025617  0.686476  1
  P  P238  1  0.720609  0.543033  0.579643  1
  P  P239  1  0.244365  0.102402  0.566019  1
  P  P240  1  1.016303  0.413148  0.672906  1
  P  P241  1  0.828855  0.968470  0.649331  1
  P  P242  1  0.792083  0.915193  0.605380  1
  P  P243  1  0.243768  0.596862  0.605380  1
  P  P244  1  0.716332  0.486438  0.686476  1
  P  P245  1  0.206996  0.543586  0.649331  1
  P  P246  1  0.079427  0.906592  0.580903  1
  P  P247  1  0.484096  0.532245  0.677484  1
  P  P248  1  0.773942  0.979143  0.568446  1
  P  P249  1  0.463700  0.599508  0.650029  1
  P  P250  1  0.246565  0.370960  0.687557  1
  P  P251  1  1.006533  0.359797  0.577124  1
  P  P252  1  0.511223  0.472687  0.639078  1
