# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'alpha-Al2S3'
_chemical_formula_sum 'Al2 S3'

loop_
_publ_author_name
 'B. Eisenmann'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Kristallografiya
;
_journal_volume 198
_journal_year 1992
_journal_page_first 307
_journal_page_last 308
_publ_Section_title
;
 Crystal structure of $α$-dialuminium trisulfide, Al$_{2}$S$_{3}$
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title '$\alpha$-Al$_{2}$S$_{3}$ Structure'
_aflow_proto 'A2B3_hP30_169_2a_3a'
_aflow_params 'a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '6.4300116544,2.78071539658,0.013,0.3579,0.12736,0.3339,0.3226,0.29886,0.3347,0.0,0.004,0.0119,0.3343,0.0,0.338,0.0064,0.33823'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP30'

_cell_length_a    6.4300116544
_cell_length_b    6.4300116544
_cell_length_c    17.8800324076
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 61"
_symmetry_Int_Tables_number 169
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/6
3 -y,x-y,z+1/3
4 -x,-y,z+1/2
5 -x+y,-x,z+2/3
6 y,-x+y,z+5/6
 
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
Al1 Al   6 a 0.01300 0.35790 0.12736 1.00000
Al2 Al   6 a 0.33390 0.32260 0.29886 1.00000
S1  S    6 a 0.33470 0.00000 0.00400 1.00000
S2  S    6 a 0.01190 0.33430 0.00000 1.00000
S3  S    6 a 0.33800 0.00640 0.33823 1.00000
