data_stdin
_audit_creation_method 'critic2'
_audit_creation_date 2023-3-6
_chemical_formula_sum 'C3 H9 O3 P S'
_cell_formula_units_Z 1
_cell_length_a        25.0000247009
_cell_length_b        25.0000247009
_cell_length_c        25.0000247009
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume         15625.046314
_space_group_crystal_system triclinic
_space_group_IT_number 1
_space_group_name_H-M_alt 'P1'
_space_group_name_Hall 'P 1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H      H      0.57647532930000     0.53867195220000     0.42293562680000 
O      O      0.56772863840000     0.56593469110000     0.44937977990000 
H      H      0.45073793670000     0.53272223900000     0.48046145580000 
O      O      0.47470899530000     0.56144748190000     0.49129682460000 
P      P      0.53492437840000     0.53942056710000     0.49814048090000 
O      O      0.53891098110000     0.48044770540000     0.50036741260000 
H      H      0.57474312710000     0.65124950140000     0.51245710020000 
H      H      0.51051256190000     0.64826745330000     0.54180946400000 
C      C      0.55278564730000     0.63776195310000     0.54812142540000 
C      C      0.55831858990000     0.57731680250000     0.55418834050000 
H      H      0.60035057740000     0.56557404680000     0.55998807680000 
S      S      0.56685867680000     0.73804271320000     0.58758718930000 
H      H      0.53579282210000     0.56264503210000     0.58905903140000 
C      C      0.57397793440000     0.66624876360000     0.59739518400000 
H      H      0.61636288530000     0.65638508820000     0.60367811020000 
H      H      0.55128207850000     0.65396464120000     0.63296925740000 
H      H      0.58699683990000     0.75300236800000     0.63550924010000 
