# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Silicon Disuphide'
_chemical_formula_sum 'Si S2'
 
loop_
_publ_author_name
 'Johannes Peters'
 'Bernt Krebs'
_journal_name_full
;
Acta Crystallographic B
;
_journal_volume 38
_journal_year 1982
_journal_page_first 1270
_journal_page_last 1272
_publ_Section_title
;
 Silicon disulphide and silicon diselenide: a reinvestigation
;

_aflow_proto 'A2B_oI12_72_j_a' 
_aflow_params 'a,b/a,c/a,x2,y2' 
_aflow_params_values '9.583,0.585829072316,0.578837524783,0.1182,0.2088' 
_aflow_Strukturbericht 'C42' 
_aflow_Pearson 'oI12' 

_symmetry_space_group_name_Hall "-I 2 2c"
_symmetry_space_group_name_H-M "I b a m"
_symmetry_Int_Tables_number 72

_cell_length_a    9.58300
_cell_length_b    5.61400
_cell_length_c    5.54700
_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,-z+1/2
3 -x,y,-z+1/2
4 -x,-y,z
5 -x,-y,-z
6 -x,y,z+1/2
7 x,-y,z+1/2
8 x,y,-z
9 x+1/2,y+1/2,z+1/2
10 x+1/2,-y+1/2,-z
11 -x+1/2,y+1/2,-z
12 -x+1/2,-y+1/2,z+1/2
13 -x+1/2,-y+1/2,-z+1/2
14 -x+1/2,y+1/2,z
15 x+1/2,-y+1/2,z
16 x+1/2,y+1/2,-z+1/2
 
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
Si1 Si   4 a 0.00000 0.00000 0.25000 1.00000
S1  S    8 j 0.11820 0.20880 0.00000 1.00000
