# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'S-II'
_chemical_formula_sum 'S'

loop_
_publ_author_name
 'O. Degtyareva'
 'E. Gregoryanz'
 'M. Somayazulu'
 'P. Dera'
 'H. Mao'
 'R. J. Hemley'
_journal_name_full_name
;
 Nature Materials
;
_journal_volume 4
_journal_year 2005
_journal_page_first 152
_journal_page_last 155
_publ_Section_title
;
 Novel chain structures in group VI elements
;

_aflow_title 'S-II Structure'
_aflow_proto 'A_hP9_154_bc'
_aflow_params 'a,c/a,x_{1},x_{2},y_{2},z_{2}'
_aflow_params_values '6.9082,0.616557134999,0.876,0.23,0.534,0.051'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP9'

_symmetry_space_group_name_H-M "P 32 2 1"
_symmetry_Int_Tables_number 154
 
_cell_length_a    6.90820
_cell_length_b    6.90820
_cell_length_c    4.25930
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z+2/3
3 -x+y,-x,z+1/3
4 x-y,-y,-z+1/3
5 y,x,-z
6 -x,-x+y,-z+2/3
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
S1 S   3 b 0.87600 0.00000 0.16667 1.00000
S2 S   6 c 0.23000 0.53400 0.05100 1.00000
