# CIF file

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'alpha'
_chemical_formula_sum 'S'

loop_
_publ_author_name
 'Steven J. Rettig'
 'James Trotter'
_journal_name_full
;
Acta Crystallographic C
;
_journal_volume 43
_journal_year 1987
_journal_page_first 2260
_journal_page_last 2262
_publ_Section_title
;
 Refinement of the structure of orthorhombic sulfur, $α$-S$_8$
;

_aflow_proto 'A_oF128_70_4h'
_aflow_params 'a,b/a,c/a,x1,y1,z1,x2,y2,z2,x3,y3,z3,x4,y4,z4'
_aflow_params_values '10.4646,1.22947843205,2.33988876785,0.14415,0.04732,0.0486,0.29277,0.2269,0.25406,0.21598,0.28022,0.32618,0.21405,0.15761,0.37947'
_aflow_Strukturbericht 'A16'
_aflow_Pearson 'oF128'

_symmetry_space_group_name_Hall "-F 2uv 2vw"
_symmetry_space_group_name_H-M "F d d d:2"
_symmetry_Int_Tables_number 70

_cell_length_a    10.46460
_cell_length_b    12.86600
_cell_length_c    24.48600
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y+3/4,-z+3/4
3 -x+3/4,y,-z+3/4
4 -x+3/4,-y+3/4,z
5 -x,-y,-z
6 -x,y+1/4,z+1/4
7 x+1/4,-y,z+1/4
8 x+1/4,y+1/4,-z
9 x,y+1/2,z+1/2
10 x,-y+1/4,-z+1/4
11 -x+3/4,y+1/2,-z+1/4
12 -x+3/4,-y+1/4,z+1/2
13 -x,-y+1/2,-z+1/2
14 -x,y+3/4,z+3/4
15 x+1/4,-y+1/2,z+3/4
16 x+1/4,y+3/4,-z+1/2
17 x+1/2,y,z+1/2
18 x+1/2,-y+3/4,-z+1/4
19 -x+1/4,y,-z+1/4
20 -x+1/4,-y+3/4,z+1/2
21 -x+1/2,-y,-z+1/2
22 -x+1/2,y+1/4,z+3/4
23 x+3/4,-y,z+3/4
24 x+3/4,y+1/4,-z+1/2
25 x+1/2,y+1/2,z
26 x+1/2,-y+1/4,-z+3/4
27 -x+1/4,y+1/2,-z+3/4
28 -x+1/4,-y+1/4,z
29 -x+1/2,-y+1/2,-z
30 -x+1/2,y+3/4,z+1/4
31 x+3/4,-y+1/2,z+1/4
32 x+3/4,y+3/4,-z

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  32 h 0.14415 0.04732 0.04860 1.00000
S2 S  32 h 0.29277 0.22690 0.25406 1.00000
S3 S  32 h 0.21598 0.28022 0.32618 1.00000
S4 S  32 h 0.21405 0.15761 0.37947 1.00000
