data_global
_chemical_name_mineral 'Sulphur'
loop_
_publ_author_name
'Crichton W A'
'Vaughan G B M'
'Mezouar M'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 216 
_journal_year 2001
_journal_page_first 417
_journal_page_last 419
_publ_section_title
;
 In situ structure solution of helical sulphur at 3 GPa and 400 deg C
 P = 3 GPa, T = 400 C
;
_database_code_amcsd 0011091
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'S'
_cell_length_a 7.0897
_cell_length_b 7.0897
_cell_length_c 4.30238
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 187.282
_exptl_crystal_density_diffrn      2.559
_symmetry_space_group_name_H-M 'P 32 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,2/3+z'
  '-x,-x+y,2/3-z'
  '-x+y,-x,1/3+z'
  'x-y,-y,1/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1   0.77270   0.30670   0.61050
S2   0.87550   0.00000   0.16667
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
S1 0.06100 0.10800 0.02770 0.05400 -0.00770 -0.01770
S2 0.07400 0.06900 0.03300 0.03500 -0.00320 -0.00600