# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Sn S'
 
loop_
_publ_author_name
 'Sylvie Del Bucchia'
 'Jean-Claude Jumas'
 'Maurice Maurin'
_journal_name_full
;
Acta Crystallographica B
;
_journal_volume 37
_journal_year 1981
_journal_page_first 1903
_journal_page_last 1905
_publ_Section_title
;
 Contribution \`{a} l'\'{e}tude de compos\'{e}s sulfur\'{e}s d'\'{e}tain(II): affinement de la structure de SnS
;

_aflow_proto 'AB_oP8_62_c_c' 
_aflow_params 'a,b/a,c/a,x1,z1,x2,z2' 
_aflow_params_values '11.18,0.356171735242,0.387209302326,0.3507,0.0201,0.61937,0.3806' 
_aflow_Strukturbericht 'B29' 
_aflow_Pearson 'oP8' 

_symmetry_space_group_name_Hall "-P 2ac 2n"
_symmetry_space_group_name_H-M "P n m a"
_symmetry_Int_Tables_number 62

_cell_length_a    11.18000
_cell_length_b    3.98200
_cell_length_c    4.32900
_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+1/2,-y+1/2,-z+1/2
3 -x,y+1/2,-z
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x+1/2,y+1/2,z+1/2
7 x,-y+1/2,z
8 x+1/2,y,-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
S1  S    4 c 0.35070 0.25000 0.02010 1.00000
Sn1 Sn   4 c 0.61937 0.25000 0.38060 1.00000
