# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.32029629
_cell_length_b   21.79600142
_cell_length_c   51.66967091
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.62792486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   22359.6174032
_cell_formula_units_Z   96
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  0.217525  0.542435  0.420428  1
  P  P2  1  0.403582  0.726613  0.320407  1
  P  P3  1  0.109838  0.800634  0.480248  1
  P  P4  1  0.295839  0.984885  0.380248  1
  P  P5  1  0.339345  0.484504  0.382179  1
  P  P6  1  0.153344  0.300253  0.482179  1
  P  P7  1  0.361864  0.227361  0.318530  1
  P  P8  1  0.174019  0.042817  0.418497  1
  P  P9  1  0.191173  0.525746  0.361539  1
  P  P10  1  0.005172  0.341495  0.461539  1
  P  P11  1  0.506589  0.187100  0.338708  1
  P  P12  1  0.322192  0.001574  0.439137  1
  P  P13  1  0.251790  0.401041  0.397002  1
  P  P14  1  0.065789  0.216790  0.497002  1
  P  P15  1  0.447393  0.308889  0.304049  1
  P  P16  1  0.261575  0.126279  0.403674  1
  P  P17  1  0.995598  0.814348  0.341658  1
  P  P18  1  0.809597  0.630097  0.441658  1
  P  P19  1  0.703768  0.897224  0.359017  1
  P  P20  1  0.517767  0.712973  0.459017  1
  P  P21  1  0.136966  0.792409  0.366085  1
  P  P22  1  0.950965  0.608158  0.466085  1
  P  P23  1  0.562399  0.919163  0.334591  1
  P  P24  1  0.376398  0.734912  0.434591  1
  P  P25  1  0.125023  0.767583  0.306756  1
  P  P26  1  0.939022  0.583332  0.406756  1
  P  P27  1  0.574342  0.943989  0.393920  1
  P  P28  1  0.388341  0.759738  0.493920  1
  P  P29  1  0.883205  0.727564  0.428680  1
  P  P30  1  0.069206  0.911815  0.328680  1
  P  P31  1  0.444158  0.615506  0.471996  1
  P  P32  1  0.630160  0.799757  0.371996  1
  P  P33  1  0.479415  0.205740  0.450330  1
  P  P34  1  0.665416  0.389991  0.350330  1
  P  P35  1  0.847948  0.137329  0.450346  1
  P  P36  1  0.033950  0.321580  0.350346  1
  P  P37  1  0.545453  0.312574  0.445531  1
  P  P38  1  0.731454  0.496825  0.345531  1
  P  P39  1  0.781910  0.030495  0.455145  1
  P  P40  1  0.967912  0.214747  0.355145  1
  P  P41  1  0.566035  0.227476  0.496058  1
  P  P42  1  0.752036  0.411728  0.396058  1
  P  P43  1  0.761328  0.115593  0.404617  1
  P  P44  1  0.947330  0.299844  0.304617  1
  P  P45  1  0.424439  0.334894  0.483638  1
  P  P46  1  0.610440  0.519145  0.383638  1
  P  P47  1  0.902924  0.008176  0.417037  1
  P  P48  1  0.088926  0.192427  0.317037  1
  P  P49  1  0.845522  0.173933  0.620428  1
  P  P50  1  0.031524  0.358184  0.520428  1
  P  P51  1  0.737779  0.432205  0.680268  1
  P  P52  1  0.923836  0.616383  0.580248  1
  P  P53  1  0.967342  0.116002  0.582179  1
  P  P54  1  0.779498  0.931457  0.682145  1
  P  P55  1  0.988018  0.858566  0.518497  1
  P  P56  1  0.802017  0.674315  0.618497  1
  P  P57  1  0.819170  0.157244  0.561539  1
  P  P58  1  0.634773  0.971718  0.661968  1
  P  P59  1  0.136190  0.817323  0.539137  1
  P  P60  1  0.950189  0.633072  0.639137  1
  P  P61  1  0.879787  0.032539  0.597002  1
  P  P62  1  0.693969  0.849930  0.696626  1
  P  P63  1  0.075573  0.942028  0.503674  1
  P  P64  1  0.889572  0.757777  0.603674  1
  P  P65  1  0.623595  0.445846  0.541658  1
  P  P66  1  0.437594  0.261595  0.641658  1
  P  P67  1  0.331765  0.528722  0.559017  1
  P  P68  1  0.145764  0.344471  0.659017  1
  P  P69  1  0.764964  0.423907  0.566085  1
  P  P70  1  0.578962  0.239656  0.666085  1
  P  P71  1  0.190397  0.550661  0.534591  1
  P  P72  1  0.004395  0.366410  0.634591  1
  P  P73  1  0.753021  0.399081  0.506756  1
  P  P74  1  0.567019  0.214830  0.606756  1
  P  P75  1  0.202340  0.575487  0.593920  1
  P  P76  1  0.016338  0.391236  0.693920  1
  P  P77  1  0.511202  0.359061  0.628680  1
  P  P78  1  0.697203  0.543313  0.528680  1
  P  P79  1  0.072156  0.247004  0.671996  1
  P  P80  1  0.258157  0.431255  0.571996  1
  P  P81  1  0.107412  0.837238  0.650330  1
  P  P82  1  0.293413  0.021489  0.550330  1
  P  P83  1  0.475946  0.768827  0.650346  1
  P  P84  1  0.661947  0.953078  0.550346  1
  P  P85  1  0.173450  0.944072  0.645531  1
  P  P86  1  0.359451  0.128323  0.545531  1
  P  P87  1  0.409908  0.661993  0.655145  1
  P  P88  1  0.595909  0.846244  0.555145  1
  P  P89  1  0.194032  0.858974  0.696058  1
  P  P90  1  0.380034  0.043225  0.596058  1
  P  P91  1  0.389325  0.747091  0.604617  1
  P  P92  1  0.575327  0.931342  0.504617  1
  P  P93  1  0.052436  0.966392  0.683638  1
  P  P94  1  0.238437  0.150643  0.583638  1
  P  P95  1  0.530921  0.639673  0.617037  1
  P  P96  1  0.716923  0.823925  0.517037  1
