# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.74435310
_cell_length_b   16.51557994
_cell_length_c   16.70937384
_cell_angle_alpha   94.11353515
_cell_angle_beta   98.72841968
_cell_angle_gamma   100.18562517
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P47
_cell_volume   4472.22511691
_cell_formula_units_Z   47
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  0.287506  0.502002  0.685024  1
  P  P2  1  0.787506  0.502002  0.685024  1
  P  P3  1  0.214564  0.498479  0.316776  1
  P  P4  1  0.714564  0.498479  0.316776  1
  P  P5  1  0.173974  0.451482  0.813528  1
  P  P6  1  0.673974  0.451482  0.813528  1
  P  P7  1  0.328095  0.548999  0.188272  1
  P  P8  1  0.828095  0.548999  0.188272  1
  P  P9  1  0.254046  0.637801  0.810340  1
  P  P10  1  0.754046  0.637801  0.810340  1
  P  P11  1  0.248024  0.362679  0.191460  1
  P  P12  1  0.748024  0.362679  0.191460  1
  P  P13  1  0.364259  0.511352  0.869698  1
  P  P14  1  0.864259  0.511352  0.869698  1
  P  P15  1  0.137810  0.489128  0.132102  1
  P  P16  1  0.637810  0.489128  0.132102  1
  P  P17  1  0.132861  0.869494  0.558612  1
  P  P18  1  0.635291  0.870345  0.558326  1
  P  P19  1  0.366779  0.130136  0.443474  1
  P  P20  1  0.866779  0.130136  0.443474  1
  P  P21  1  0.547630  0.683778  0.535217  1
  P  P22  1  0.454439  0.316703  0.466583  1
  P  P23  1  0.954439  0.316703  0.466583  1
  P  P24  1  0.007873  0.806574  0.667180  1
  P  P25  1  0.507332  0.806008  0.669486  1
  P  P26  1  0.494738  0.194472  0.332314  1
  P  P27  1  0.994738  0.194472  0.332314  1
  P  P28  1  0.447337  0.820970  0.484743  1
  P  P29  1  0.949263  0.821226  0.486724  1
  P  P30  1  0.054733  0.179511  0.517057  1
  P  P31  1  0.554733  0.179511  0.517057  1
  P  P32  1  0.401073  0.184475  0.966781  1
  P  P33  1  0.901073  0.184475  0.966781  1
  P  P34  1  0.100996  0.816006  0.035019  1
  P  P35  1  0.600996  0.816006  0.035019  1
  P  P36  1  0.221944  0.127450  0.868738  1
  P  P37  1  0.721944  0.127450  0.868738  1
  P  P38  1  0.280126  0.873030  0.133062  1
  P  P39  1  0.780126  0.873030  0.133062  1
  P  P40  1  0.352132  0.012966  0.860685  1
  P  P41  1  0.852132  0.012966  0.860685  1
  P  P42  1  0.149937  0.987515  0.141115  1
  P  P43  1  0.649937  0.987515  0.141115  1
  P  P44  1  0.370110  0.177431  0.776125  1
  P  P45  1  0.870110  0.177431  0.776125  1
  P  P46  1  0.131960  0.823050  0.225675  1
  P  P47  1  0.631960  0.823050  0.225675  1
