# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'gamma-Ag3SI'
_chemical_formula_sum 'Ag3 I S'

loop_
_publ_author_name
 'S. Hoshino'
 'T. Sakuma'
 'Y. Fujii'
_journal_name_full_name
;
 Journal of the Physical Society of Japan
;
_journal_volume 47
_journal_year 1979
_journal_page_first 1252
_journal_page_last 1259
_publ_Section_title
;
 A Structural Phase Transition in Superionic Conductor Ag$_{3}$SI
;

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

_aflow_title '$\gamma$-Ag$_{3}$SI (Low-temperature) Structure'
_aflow_proto 'A3BC_hR5_146_b_a_a'
_aflow_params 'a,c/a,x_{1},x_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '6.8858547087,1.22475238897,0.47,0.0,0.49,-0.002,-0.14399'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hR5'

_cell_length_a    6.8858547087
_cell_length_b    6.8858547087
_cell_length_c    8.4334670046
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "R 3 (hexagonal axes)"
_symmetry_Int_Tables_number 146
 
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+1/3,y+2/3,z+2/3
5 -y+1/3,x-y+2/3,z+2/3
6 -x+y+1/3,-x+2/3,z+2/3
7 x+2/3,y+1/3,z+1/3
8 -y+2/3,x-y+1/3,z+1/3
9 -x+y+2/3,-x+1/3,z+1/3
 
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
I1  I    3 a 0.00000 0.00000 0.47000 1.00000
S1  S    3 a 0.00000 0.00000 0.00000 1.00000
Ag1 Ag   9 b 0.37533 0.11667 0.11467 1.00000
