# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'GdSI'
_chemical_formula_sum 'Gd I S'

loop_
_publ_author_name
 'C. Dagron'
 'F. Thevet'
_journal_name_full_name
;
 Comptes Rendus Hebdomadaires des S{\'eances de l'Acad{\'e}mie des Sciences S{\'e}rie C - Sciences chimiques
;
_journal_volume 268
_journal_year 1969
_journal_page_first 1867
_journal_page_last 1869
_publ_Section_title
;
 R{\\'e}partition des types cristallins dans la s{\\'e}rie des iodosulfures et fluorosulfures des {\\'e}l{\\'e}ments des terres rares et dýttrium
;

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

_aflow_title 'GdSI Structure'
_aflow_proto 'ABC_hP12_174_cj_fk_aj'
_aflow_params 'a,c/a,x_{4},y_{4},x_{5},y_{5},x_{6},y_{6}'
_aflow_params_values '10.7303215747,0.395153774459,0.30167,0.15433,0.03467,0.51733,0.14967,0.31433'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP12'

_cell_length_a    10.7303215747
_cell_length_b    10.7303215747
_cell_length_c    4.2401270714
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P -6"
_symmetry_Int_Tables_number 174
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x+y,-x,-z
5 x,y,-z
6 -y,x-y,-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    1 a 0.00000 0.00000 0.00000 1.00000
Gd1 Gd   1 c 0.33333 0.66667 0.00000 1.00000
I1  I    1 f 0.66667 0.33333 0.50000 1.00000
Gd2 Gd   3 j 0.30167 0.15433 0.00000 1.00000
S2  S    3 j 0.03467 0.51733 0.00000 1.00000
I2  I    3 k 0.14967 0.31433 0.50000 1.00000
