# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.28882273
_cell_length_b   23.40025521
_cell_length_c   51.68048797
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.09388035
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P384
_cell_volume   23045.4375089
_cell_formula_units_Z   384
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  0.175401  0.566016  0.290473  1
  P  P2  1  0.842068  0.566016  0.290473  1
  P  P3  1  0.257359  1.075054  0.272397  1
  P  P4  1  0.508734  0.566016  0.290473  1
  P  P5  1  0.924026  1.075054  0.272397  1
  P  P6  1  0.590692  1.075054  0.272397  1
  P  P7  1  0.194561  0.947035  0.285948  1
  P  P8  1  0.861227  0.947035  0.285948  1
  P  P9  1  0.279482  0.446205  0.268913  1
  P  P10  1  0.527894  0.947035  0.285948  1
  P  P11  1  0.946149  0.446205  0.268913  1
  P  P12  1  0.612815  0.446205  0.268913  1
  P  P13  1  0.299405  0.815690  0.299188  1
  P  P14  1  0.966072  0.815690  0.299188  1
  P  P15  1  0.383676  0.318984  0.281547  1
  P  P16  1  0.632739  0.815690  0.299188  1
  P  P17  1  0.050343  0.318984  0.281547  1
  P  P18  1  0.717009  0.318984  0.281547  1
  P  P19  1  0.404110  0.694649  0.278254  1
  P  P20  1  0.070777  0.694649  0.278254  1
  P  P21  1  0.487275  0.200589  0.259481  1
  P  P22  1  0.737444  0.694649  0.278254  1
  P  P23  1  0.153942  0.200589  0.259481  1
  P  P24  1  0.820609  0.200589  0.259481  1
  P  P25  1  0.132739  0.815690  0.299188  1
  P  P26  1  0.799405  0.815690  0.299188  1
  P  P27  1  0.217009  0.318984  0.281547  1
  P  P28  1  0.466072  0.815690  0.299188  1
  P  P29  1  0.883676  0.318984  0.281547  1
  P  P30  1  0.550343  0.318984  0.281547  1
  P  P31  1  0.237444  0.694649  0.278254  1
  P  P32  1  0.904110  0.694649  0.278254  1
  P  P33  1  0.320609  0.200589  0.259481  1
  P  P34  1  0.570777  0.694649  0.278254  1
  P  P35  1  -0.012725  0.200589  0.259481  1
  P  P36  1  0.653942  0.200589  0.259481  1
  P  P37  1  0.342068  0.566016  0.290473  1
  P  P38  1  0.008734  0.566016  0.290473  1
  P  P39  1  0.424026  1.075054  0.272397  1
  P  P40  1  0.675401  0.566016  0.290473  1
  P  P41  1  0.090692  1.075054  0.272397  1
  P  P42  1  0.757359  1.075054  0.272397  1
  P  P43  1  0.361227  0.947035  0.285948  1
  P  P44  1  0.027894  0.947035  0.285948  1
  P  P45  1  0.446149  0.446205  0.268913  1
  P  P46  1  0.694561  0.947035  0.285948  1
  P  P47  1  0.112815  0.446205  0.268913  1
  P  P48  1  0.779482  0.446205  0.268913  1
  P  P49  1  0.095311  0.550260  0.345505  1
  P  P50  1  0.761978  0.550260  0.345505  1
  P  P51  1  0.178396  1.056413  0.327001  1
  P  P52  1  0.428645  0.550260  0.345505  1
  P  P53  1  0.845062  1.056413  0.327001  1
  P  P54  1  0.511729  1.056413  0.327001  1
  P  P55  1  0.115822  0.926811  0.340403  1
  P  P56  1  0.782488  0.926811  0.340403  1
  P  P57  1  0.199446  0.431805  0.322793  1
  P  P58  1  0.449155  0.926811  0.340403  1
  P  P59  1  0.866113  0.431805  0.322793  1
  P  P60  1  0.532779  0.431805  0.322793  1
  P  P61  1  0.219979  0.797790  0.354263  1
  P  P62  1  0.886646  0.797790  0.354263  1
  P  P63  1  0.303601  0.303329  0.336610  1
  P  P64  1  0.553313  0.797790  0.354263  1
  P  P65  1  0.970267  0.303329  0.336610  1
  P  P66  1  0.636934  0.303329  0.336610  1
  P  P67  1  0.324323  0.679044  0.331851  1
  P  P68  1  -0.009010  0.679044  0.331851  1
  P  P69  1  0.407627  0.185503  0.313583  1
  P  P70  1  0.657656  0.679044  0.331851  1
  P  P71  1  0.074294  0.185503  0.313583  1
  P  P72  1  0.740960  0.185503  0.313583  1
  P  P73  1  0.053313  0.797790  0.354263  1
  P  P74  1  0.719979  0.797790  0.354263  1
  P  P75  1  0.136934  0.303329  0.336610  1
  P  P76  1  0.386646  0.797790  0.354263  1
  P  P77  1  0.803601  0.303329  0.336610  1
  P  P78  1  0.470267  0.303329  0.336610  1
  P  P79  1  0.157656  0.679044  0.331851  1
  P  P80  1  0.824323  0.679044  0.331851  1
  P  P81  1  0.240960  0.185503  0.313583  1
  P  P82  1  0.490990  0.679044  0.331851  1
  P  P83  1  0.907627  0.185503  0.313583  1
  P  P84  1  0.574294  0.185503  0.313583  1
  P  P85  1  0.261978  0.550260  0.345505  1
  P  P86  1  0.928645  0.550260  0.345505  1
  P  P87  1  0.345062  1.056413  0.327001  1
  P  P88  1  0.595311  0.550260  0.345505  1
  P  P89  1  0.011729  1.056413  0.327001  1
  P  P90  1  0.678396  1.056413  0.327001  1
  P  P91  1  0.282488  0.926811  0.340403  1
  P  P92  1  0.949155  0.926811  0.340403  1
  P  P93  1  0.366113  0.431805  0.322793  1
  P  P94  1  0.615822  0.926811  0.340403  1
  P  P95  1  0.032779  0.431805  0.322793  1
  P  P96  1  0.699446  0.431805  0.322793  1
  P  P97  1  0.015621  0.533653  0.400760  1
  P  P98  1  0.682288  0.533653  0.400760  1
  P  P99  1  0.099033  1.038836  0.382113  1
  P  P100  1  0.348954  0.533653  0.400760  1
  P  P101  1  0.765700  1.038836  0.382113  1
  P  P102  1  0.432366  1.038836  0.382113  1
  P  P103  1  0.036467  0.909870  0.395724  1
  P  P104  1  0.703133  0.909870  0.395724  1
  P  P105  1  0.119935  0.415434  0.377694  1
  P  P106  1  0.369800  0.909870  0.395724  1
  P  P107  1  0.786602  0.415434  0.377694  1
  P  P108  1  0.453269  0.415434  0.377694  1
  P  P109  1  0.140504  0.781027  0.409731  1
  P  P110  1  0.807170  0.781027  0.409731  1
  P  P111  1  0.224018  0.286175  0.391792  1
  P  P112  1  0.473837  0.781027  0.409731  1
  P  P113  1  0.890685  0.286175  0.391792  1
  P  P114  1  0.557351  0.286175  0.391792  1
  P  P115  1  0.244827  0.662764  0.386662  1
  P  P116  1  0.911493  0.662764  0.386662  1
  P  P117  1  0.328274  1.168152  0.368444  1
  P  P118  1  0.578160  0.662764  0.386662  1
  P  P119  1  -0.005059  1.168152  0.368444  1
  P  P120  1  0.661608  1.168152  0.368444  1
  P  P121  1  0.973837  0.781027  0.409731  1
  P  P122  1  0.640504  0.781027  0.409731  1
  P  P123  1  0.057351  0.286175  0.391792  1
  P  P124  1  0.307170  0.781027  0.409731  1
  P  P125  1  0.724018  0.286175  0.391792  1
  P  P126  1  0.390685  0.286175  0.391792  1
  P  P127  1  0.078160  0.662764  0.386662  1
  P  P128  1  0.744827  0.662764  0.386662  1
  P  P129  1  0.161608  1.168152  0.368444  1
  P  P130  1  0.411493  0.662764  0.386662  1
  P  P131  1  0.828274  1.168152  0.368444  1
  P  P132  1  0.494941  1.168152  0.368444  1
  P  P133  1  0.182288  0.533653  0.400760  1
  P  P134  1  0.848954  0.533653  0.400760  1
  P  P135  1  0.265700  1.038836  0.382113  1
  P  P136  1  0.515621  0.533653  0.400760  1
  P  P137  1  0.932366  1.038836  0.382113  1
  P  P138  1  0.599033  1.038836  0.382113  1
  P  P139  1  0.203133  0.909870  0.395724  1
  P  P140  1  0.869800  0.909870  0.395724  1
  P  P141  1  0.286602  0.415434  0.377694  1
  P  P142  1  0.536467  0.909870  0.395724  1
  P  P143  1  0.953269  0.415434  0.377694  1
  P  P144  1  0.619935  0.415434  0.377694  1
  P  P145  1  0.936086  0.516864  0.455858  1
  P  P146  1  0.602752  0.516864  0.455858  1
  P  P147  1  0.019546  1.022088  0.437270  1
  P  P148  1  0.269419  0.516864  0.455858  1
  P  P149  1  0.686212  1.022088  0.437270  1
  P  P150  1  0.352879  1.022088  0.437270  1
  P  P151  1  0.957023  0.893240  0.450995  1
  P  P152  1  0.623690  0.893240  0.450995  1
  P  P153  1  0.040483  0.398630  0.432621  1
  P  P154  1  0.290356  0.893240  0.450995  1
  P  P155  1  0.707150  0.398630  0.432621  1
  P  P156  1  0.373816  0.398630  0.432621  1
  P  P157  1  0.061056  0.764290  0.465000  1
  P  P158  1  0.727723  0.764290  0.465000  1
  P  P159  1  0.144507  0.269258  0.446874  1
  P  P160  1  0.394390  0.764290  0.465000  1
  P  P161  1  0.811174  0.269258  0.446874  1
  P  P162  1  0.477840  0.269258  0.446874  1
  P  P163  1  0.165383  0.646184  0.441594  1
  P  P164  1  0.832050  0.646184  0.441594  1
  P  P165  1  0.248823  1.151174  0.423381  1
  P  P166  1  0.498716  0.646184  0.441594  1
  P  P167  1  0.915490  1.151174  0.423381  1
  P  P168  1  0.582157  1.151174  0.423381  1
  P  P169  1  0.894390  0.764290  0.465000  1
  P  P170  1  0.561056  0.764290  0.465000  1
  P  P171  1  -0.022160  0.269258  0.446874  1
  P  P172  1  0.227723  0.764290  0.465000  1
  P  P173  1  0.644507  0.269258  0.446874  1
  P  P174  1  0.311174  0.269258  0.446874  1
  P  P175  1  -0.001284  0.646184  0.441594  1
  P  P176  1  0.665383  0.646184  0.441594  1
  P  P177  1  0.082157  1.151174  0.423381  1
  P  P178  1  0.332050  0.646184  0.441594  1
  P  P179  1  0.748823  1.151174  0.423381  1
  P  P180  1  0.415490  1.151174  0.423381  1
  P  P181  1  0.102752  0.516864  0.455858  1
  P  P182  1  0.769419  0.516864  0.455858  1
  P  P183  1  0.186212  1.022088  0.437270  1
  P  P184  1  0.436086  0.516864  0.455858  1
  P  P185  1  0.852879  1.022088  0.437270  1
  P  P186  1  0.519546  1.022088  0.437270  1
  P  P187  1  0.123690  0.893240  0.450995  1
  P  P188  1  0.790356  0.893240  0.450995  1
  P  P189  1  0.207150  0.398630  0.432621  1
  P  P190  1  0.457023  0.893240  0.450995  1
  P  P191  1  0.873816  0.398630  0.432621  1
  P  P192  1  0.540483  0.398630  0.432621  1
  P  P193  1  0.856600  0.500099  0.510874  1
  P  P194  1  0.523267  0.500099  0.510874  1
  P  P195  1  0.940060  1.005489  0.492500  1
  P  P196  1  0.189933  0.500099  0.510874  1
  P  P197  1  0.606727  1.005489  0.492500  1
  P  P198  1  0.273393  1.005489  0.492500  1
  P  P199  1  0.877537  0.876641  0.506225  1
  P  P200  1  0.544204  0.876641  0.506225  1
  P  P201  1  0.960997  0.381865  0.487637  1
  P  P202  1  0.210871  0.876641  0.506225  1
  P  P203  1  0.627664  0.381865  0.487637  1
  P  P204  1  0.294331  0.381865  0.487637  1
  P  P205  1  -0.018407  0.747555  0.520114  1
  P  P206  1  0.648260  0.747555  0.520114  1
  P  P207  1  0.065033  0.252545  0.501900  1
  P  P208  1  0.314926  0.747555  0.520114  1
  P  P209  1  0.731700  0.252545  0.501900  1
  P  P210  1  0.398367  0.252545  0.501900  1
  P  P211  1  0.085909  0.629471  0.496621  1
  P  P212  1  0.752576  0.629471  0.496621  1
  P  P213  1  0.169360  1.134439  0.478494  1
  P  P214  1  0.419243  0.629471  0.496621  1
  P  P215  1  0.836027  1.134439  0.478494  1
  P  P216  1  0.502693  1.134439  0.478494  1
  P  P217  1  0.814926  0.747555  0.520114  1
  P  P218  1  0.481593  0.747555  0.520114  1
  P  P219  1  0.898367  0.252545  0.501900  1
  P  P220  1  0.148260  0.747555  0.520114  1
  P  P221  1  0.565033  0.252545  0.501900  1
  P  P222  1  0.231700  0.252545  0.501900  1
  P  P223  1  0.919243  0.629471  0.496621  1
  P  P224  1  0.585909  0.629471  0.496621  1
  P  P225  1  0.002693  1.134439  0.478494  1
  P  P226  1  0.252576  0.629471  0.496621  1
  P  P227  1  0.669360  1.134439  0.478494  1
  P  P228  1  0.336027  1.134439  0.478494  1
  P  P229  1  0.023267  0.500099  0.510874  1
  P  P230  1  0.689933  0.500099  0.510874  1
  P  P231  1  0.106727  1.005489  0.492500  1
  P  P232  1  0.356600  0.500099  0.510874  1
  P  P233  1  0.773393  1.005489  0.492500  1
  P  P234  1  0.440060  1.005489  0.492500  1
  P  P235  1  0.044204  0.876641  0.506225  1
  P  P236  1  0.710871  0.876641  0.506225  1
  P  P237  1  0.127664  0.381865  0.487637  1
  P  P238  1  0.377537  0.876641  0.506225  1
  P  P239  1  0.794331  0.381865  0.487637  1
  P  P240  1  0.460997  0.381865  0.487637  1
  P  P241  1  0.777148  0.483295  0.565801  1
  P  P242  1  0.443814  0.483295  0.565801  1
  P  P243  1  0.860616  0.988859  0.547771  1
  P  P244  1  0.110481  0.483295  0.565801  1
  P  P245  1  0.527283  0.988859  0.547771  1
  P  P246  1  0.193950  0.988859  0.547771  1
  P  P247  1  0.798050  0.859893  0.561382  1
  P  P248  1  0.464717  0.859893  0.561382  1
  P  P249  1  0.881462  0.365076  0.542735  1
  P  P250  1  0.131383  0.859893  0.561382  1
  P  P251  1  0.548129  0.365076  0.542735  1
  P  P252  1  0.214795  0.365076  0.542735  1
  P  P253  1  0.902142  0.730577  0.575051  1
  P  P254  1  0.568809  0.730577  0.575051  1
  P  P255  1  -0.014410  0.235965  0.556833  1
  P  P256  1  0.235475  0.730577  0.575051  1
  P  P257  1  0.652256  0.235965  0.556833  1
  P  P258  1  0.318923  0.235965  0.556833  1
  P  P259  1  0.006398  0.612554  0.551703  1
  P  P260  1  0.673065  0.612554  0.551703  1
  P  P261  1  0.089913  1.117702  0.533764  1
  P  P262  1  0.339732  0.612554  0.551703  1
  P  P263  1  0.756579  1.117702  0.533764  1
  P  P264  1  0.423246  1.117702  0.533764  1
  P  P265  1  0.735475  0.730577  0.575051  1
  P  P266  1  0.402142  0.730577  0.575051  1
  P  P267  1  0.818923  0.235965  0.556833  1
  P  P268  1  0.068809  0.730577  0.575051  1
  P  P269  1  0.485590  0.235965  0.556833  1
  P  P270  1  0.152256  0.235965  0.556833  1
  P  P271  1  0.839732  0.612554  0.551703  1
  P  P272  1  0.506398  0.612554  0.551703  1
  P  P273  1  0.923246  1.117702  0.533764  1
  P  P274  1  0.173065  0.612554  0.551703  1
  P  P275  1  0.589913  1.117702  0.533764  1
  P  P276  1  0.256579  1.117702  0.533764  1
  P  P277  1  0.943814  0.483295  0.565801  1
  P  P278  1  0.610481  0.483295  0.565801  1
  P  P279  1  0.027283  0.988859  0.547771  1
  P  P280  1  0.277148  0.483295  0.565801  1
  P  P281  1  0.693950  0.988859  0.547771  1
  P  P282  1  0.360616  0.988859  0.547771  1
  P  P283  1  0.964717  0.859893  0.561382  1
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