# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.26973422
_cell_length_b   28.38845234
_cell_length_c   45.32339819
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   26357.4797406
_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  0.914773  0.371212  0.361111  1
  P  P2  1  0.414773  0.371212  0.361111  1
  P  P3  1  0.278409  0.098485  0.287037  1
  P  P4  1  0.846591  0.734848  0.324074  1
  P  P5  1  0.778409  0.098485  0.287037  1
  P  P6  1  0.346591  0.734848  0.324074  1
  P  P7  1  0.880682  0.553030  0.342593  1
  P  P8  1  0.380682  0.553030  0.342593  1
  P  P9  1  0.448864  0.189394  0.379630  1
  P  P10  1  0.812500  0.916667  0.305556  1
  P  P11  1  0.948864  0.189394  0.379630  1
  P  P12  1  0.312500  0.916667  0.305556  1
  P  P13  1  0.130682  0.553030  0.342593  1
  P  P14  1  0.630682  0.553030  0.342593  1
  P  P15  1  0.698864  0.189394  0.379630  1
  P  P16  1  0.062500  0.916667  0.305556  1
  P  P17  1  0.198864  0.189394  0.379630  1
  P  P18  1  0.562500  0.916667  0.305556  1
  P  P19  1  0.164773  0.371212  0.361111  1
  P  P20  1  0.664773  0.371212  0.361111  1
  P  P21  1  0.528409  0.098485  0.287037  1
  P  P22  1  0.096591  0.734848  0.324074  1
  P  P23  1  0.028409  0.098485  0.287037  1
  P  P24  1  0.596591  0.734848  0.324074  1
  P  P25  1  0.119318  0.280303  0.472222  1
  P  P26  1  0.619318  0.280303  0.472222  1
  P  P27  1  0.482955  0.007576  0.398148  1
  P  P28  1  0.051136  0.643939  0.435185  1
  P  P29  1  0.982955  0.007576  0.398148  1
  P  P30  1  0.551136  0.643939  0.435185  1
  P  P31  1  0.085227  0.462121  0.453704  1
  P  P32  1  0.585227  0.462121  0.453704  1
  P  P33  1  0.653409  0.098485  0.490741  1
  P  P34  1  0.017045  0.825758  0.416667  1
  P  P35  1  0.153409  0.098485  0.490741  1
  P  P36  1  0.517045  0.825758  0.416667  1
  P  P37  1  0.335227  0.462121  0.453704  1
  P  P38  1  0.835227  0.462121  0.453704  1
  P  P39  1  0.903409  0.098485  0.490741  1
  P  P40  1  0.267045  0.825758  0.416667  1
  P  P41  1  0.403409  0.098485  0.490741  1
  P  P42  1  0.767045  0.825758  0.416667  1
  P  P43  1  0.369318  0.280303  0.472222  1
  P  P44  1  0.869318  0.280303  0.472222  1
  P  P45  1  0.732955  0.007576  0.398148  1
  P  P46  1  0.301136  0.643939  0.435185  1
  P  P47  1  0.232955  0.007576  0.398148  1
  P  P48  1  0.801136  0.643939  0.435185  1
  P  P49  1  0.323864  0.189394  0.583333  1
  P  P50  1  0.823864  0.189394  0.583333  1
  P  P51  1  0.687500  0.916667  0.509259  1
  P  P52  1  0.255682  0.553030  0.546296  1
  P  P53  1  0.187500  0.916667  0.509259  1
  P  P54  1  0.755682  0.553030  0.546296  1
  P  P55  1  0.289773  0.371212  0.564815  1
  P  P56  1  0.789773  0.371212  0.564815  1
  P  P57  1  0.857955  0.007576  0.601852  1
  P  P58  1  0.221591  0.734848  0.527778  1
  P  P59  1  0.357955  0.007576  0.601852  1
  P  P60  1  0.721591  0.734848  0.527778  1
  P  P61  1  0.539773  0.371212  0.564815  1
  P  P62  1  0.039773  0.371212  0.564815  1
  P  P63  1  0.107955  0.007576  0.601852  1
  P  P64  1  0.471591  0.734848  0.527778  1
  P  P65  1  0.607955  0.007576  0.601852  1
  P  P66  1  0.971591  0.734848  0.527778  1
  P  P67  1  0.573864  0.189394  0.583333  1
  P  P68  1  0.073864  0.189394  0.583333  1
  P  P69  1  0.937500  0.916667  0.509259  1
  P  P70  1  0.505682  0.553030  0.546296  1
  P  P71  1  0.437500  0.916667  0.509259  1
  P  P72  1  0.005682  0.553030  0.546296  1
  P  P73  1  0.528409  0.098485  0.694444  1
  P  P74  1  0.028409  0.098485  0.694444  1
  P  P75  1  0.892045  0.825758  0.620370  1
  P  P76  1  0.460227  0.462121  0.657407  1
  P  P77  1  0.392045  0.825758  0.620370  1
  P  P78  1  0.960227  0.462121  0.657407  1
  P  P79  1  0.494318  0.280303  0.675926  1
  P  P80  1  0.994318  0.280303  0.675926  1
  P  P81  1  0.062500  0.916667  0.712963  1
  P  P82  1  0.426136  0.643939  0.638889  1
  P  P83  1  0.562500  0.916667  0.712963  1
  P  P84  1  0.926136  0.643939  0.638889  1
  P  P85  1  0.744318  0.280303  0.675926  1
  P  P86  1  0.244318  0.280303  0.675926  1
  P  P87  1  0.312500  0.916667  0.712963  1
  P  P88  1  0.676136  0.643939  0.638889  1
  P  P89  1  0.812500  0.916667  0.712963  1
  P  P90  1  0.176136  0.643939  0.638889  1
  P  P91  1  0.778409  0.098485  0.694444  1
  P  P92  1  0.278409  0.098485  0.694444  1
  P  P93  1  0.142045  0.825758  0.620370  1
  P  P94  1  0.710227  0.462121  0.657407  1
  P  P95  1  0.642045  0.825758  0.620370  1
  P  P96  1  0.210227  0.462121  0.657407  1
