# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Rh2S3'
_chemical_formula_sum 'Rh2 S3'

loop_
_publ_author_name
 'E. Parth\'{e}'
 'F. Hulliger'
_journal_name_full_name
Acta Crystallographica
;
_journal_volume 21
_journal_year 1966
_journal_page_first A66
_journal_page_last A66
_publ_Section_title
;
 The crystal structure of Rh$_{2}$S$_{3}$
;

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

_aflow_title 'Rh$_{2}$S$_{3}$ Structure'
_aflow_proto 'A2B3_oP20_60_d_cd'
_aflow_params 'a,b/a,c/a,y_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '8.4598035458,0.706855791961,0.724586288418,0.547,0.394,0.75,0.033,0.348,0.611,0.396'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP20'

_cell_length_a    8.4598035458
_cell_length_b    5.9798611352
_cell_length_c    6.1298576520
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 21/b 2/c 21/n"
_symmetry_Int_Tables_number 60
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z
3 -x,y,-z+1/2
4 -x+1/2,-y+1/2,z+1/2
5 -x,-y,-z
6 -x+1/2,y+1/2,z
7 x,-y,z+1/2
8 x+1/2,y+1/2,-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 0.00000 0.54700 0.25000 1.00000
Rh1 Rh   8 d 0.39400 0.75000 0.03300 1.00000
S2  S    8 d 0.34800 0.61100 0.39600 1.00000
