# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Stibnite'
_chemical_formula_sum 'Sb2 S3'
 
loop_
_publ_author_name
 'Atsushi Kyono'
 'Mitsuyoshi Kimata'
_journal_name_full
;
American Mineralogist
;
_journal_volume 89
_journal_year 2004
_journal_page_first 932
_journal_page_last 940
_publ_Section_title
;
 Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)$_2$S$_3$
;

# Found in  AMS Database

_aflow_proto 'A3B2_oP20_62_3c_2c' 
_aflow_params 'a,b/a,c/a,x1,z1,x2,z2,x3,z3,x4,z4,x5,z5' 
_aflow_params_values '11.282,0.339443361106,0.994947704308,0.2922,0.19181,0.4504,0.877,0.6246,0.5611,-0.02937,0.17398,0.64939,-0.03603'
_aflow_Strukturbericht 'D5_8' 
_aflow_Pearson 'oP20' 

_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    11.28200
_cell_length_b    3.82960
_cell_length_c    11.22500
_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 0.29220 0.25000 0.19181  1.00000
S2  S    4 c 0.45040 0.25000 0.87700  1.00000
S3  S    4 c 0.62460 0.25000 0.56110  1.00000
Sb1 Sb   4 c -0.02937 0.25000 0.17398  1.00000
Sb2 Sb   4 c 0.64939 0.25000 -0.03603 1.00000
