# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.88306641
_cell_length_b   8.98743496
_cell_length_c   51.73209033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.02564287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   5338.20071141
_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  0.838364  0.182628  0.335755  1
  P  P2  1  0.338364  0.182628  0.335755  1
  P  P3  1  0.913213  0.455834  0.296655  1
  P  P4  1  0.413213  0.455834  0.296655  1
  P  P5  1  0.165405  0.799273  0.317499  1
  P  P6  1  0.665405  0.799273  0.317499  1
  P  P7  1  0.210441  0.082290  0.281468  1
  P  P8  1  0.710441  0.082290  0.281468  1
  P  P9  1  0.960441  0.082290  0.281468  1
  P  P10  1  0.460441  0.082290  0.281468  1
  P  P11  1  0.915405  0.799273  0.317499  1
  P  P12  1  0.415405  0.799273  0.317499  1
  P  P13  1  0.088364  0.182628  0.335755  1
  P  P14  1  0.588364  0.182628  0.335755  1
  P  P15  1  0.163213  0.455834  0.296655  1
  P  P16  1  0.663213  0.455834  0.296655  1
  P  P17  1  0.714806  0.630306  0.412362  1
  P  P18  1  0.214806  0.630306  0.412362  1
  P  P19  1  0.781102  0.904797  0.373136  1
  P  P20  1  0.281102  0.904797  0.373136  1
  P  P21  1  0.031281  0.246643  0.396421  1
  P  P22  1  0.531281  0.246643  0.396421  1
  P  P23  1  0.094355  0.523521  0.357096  1
  P  P24  1  0.594355  0.523521  0.357096  1
  P  P25  1  0.844355  0.523521  0.357096  1
  P  P26  1  0.344355  0.523521  0.357096  1
  P  P27  1  0.781281  0.246643  0.396421  1
  P  P28  1  0.281281  0.246643  0.396421  1
  P  P29  1  0.964806  0.630306  0.412362  1
  P  P30  1  0.464806  0.630306  0.412362  1
  P  P31  1  0.031102  0.904797  0.373136  1
  P  P32  1  0.531102  0.904797  0.373136  1
  P  P33  1  0.587517  0.078663  0.489802  1
  P  P34  1  0.087517  0.078663  0.489802  1
  P  P35  1  0.649676  0.354820  0.451342  1
  P  P36  1  0.149676  0.354820  0.451342  1
  P  P37  1  0.905307  0.694400  0.473681  1
  P  P38  1  0.405307  0.694400  0.473681  1
  P  P39  1  0.969792  0.969719  0.434667  1
  P  P40  1  0.469792  0.969719  0.434667  1
  P  P41  1  0.719792  0.969719  0.434667  1
  P  P42  1  0.219792  0.969719  0.434667  1
  P  P43  1  0.655307  0.694400  0.473681  1
  P  P44  1  0.155307  0.694400  0.473681  1
  P  P45  1  0.837517  0.078663  0.489802  1
  P  P46  1  0.337517  0.078663  0.489802  1
  P  P47  1  0.899676  0.354820  0.451342  1
  P  P48  1  0.399676  0.354820  0.451342  1
  P  P49  1  0.459294  0.527683  0.567761  1
  P  P50  1  0.959294  0.527683  0.567761  1
  P  P51  1  0.523778  0.803002  0.528746  1
  P  P52  1  0.023778  0.803002  0.528746  1
  P  P53  1  0.779409  0.142581  0.551086  1
  P  P54  1  0.279409  0.142581  0.551086  1
  P  P55  1  0.841568  0.418739  0.512625  1
  P  P56  1  0.341568  0.418739  0.512625  1
  P  P57  1  0.591568  0.418739  0.512625  1
  P  P58  1  0.091568  0.418739  0.512625  1
  P  P59  1  0.529409  0.142581  0.551086  1
  P  P60  1  0.029409  0.142581  0.551086  1
  P  P61  1  0.709294  0.527683  0.567761  1
  P  P62  1  0.209294  0.527683  0.567761  1
  P  P63  1  0.773778  0.803002  0.528746  1
  P  P64  1  0.273778  0.803002  0.528746  1
  P  P65  1  0.334730  0.973880  0.645331  1
  P  P66  1  0.834730  0.973880  0.645331  1
  P  P67  1  0.397804  0.250759  0.606006  1
  P  P68  1  0.897804  0.250759  0.606006  1
  P  P69  1  0.647984  0.592605  0.629291  1
  P  P70  1  0.147984  0.592605  0.629291  1
  P  P71  1  0.714280  0.867096  0.590065  1
  P  P72  1  0.214280  0.867096  0.590065  1
  P  P73  1  0.464280  0.867096  0.590065  1
  P  P74  1  0.964280  0.867096  0.590065  1
  P  P75  1  0.397984  0.592605  0.629291  1
  P  P76  1  0.897984  0.592605  0.629291  1
  P  P77  1  0.584730  0.973880  0.645331  1
  P  P78  1  0.084730  0.973880  0.645331  1
  P  P79  1  0.647804  0.250759  0.606006  1
  P  P80  1  0.147804  0.250759  0.606006  1
  P  P81  1  0.218644  0.415112  0.720959  1
  P  P82  1  0.718644  0.415112  0.720959  1
  P  P83  1  0.263681  0.698129  0.684928  1
  P  P84  1  0.763681  0.698129  0.684928  1
  P  P85  1  0.515872  0.041568  0.705772  1
  P  P86  1  0.015872  0.041568  0.705772  1
  P  P87  1  0.590722  0.314774  0.666673  1
  P  P88  1  0.090722  0.314774  0.666673  1
  P  P89  1  0.340722  0.314774  0.666673  1
  P  P90  1  0.840722  0.314774  0.666673  1
  P  P91  1  0.265872  0.041568  0.705772  1
  P  P92  1  0.765872  0.041568  0.705772  1
  P  P93  1  0.468644  0.415112  0.720959  1
  P  P94  1  0.968644  0.415112  0.720959  1
  P  P95  1  0.513681  0.698129  0.684928  1
  P  P96  1  0.013681  0.698129  0.684928  1
