# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta-RuCl3'
_chemical_formula_sum 'Cl3 Ru'

loop_
_publ_author_name
 'J. M. Fletcher'
 'W. E. Gardner'
 'A. C. Fox'
 'G. Topping'
_journal_year 1967
_publ_Section_title
;
 X-Ray, infrared, and magnetic studies of $α$- and $β$-ruthenium trichloride
;

_aflow_title '$\beta$-RuCl$_{3}$ Structure'
_aflow_proto 'A3B_hP8_158_d_a'
_aflow_params 'a,c/a,z_{1},x_{2},y_{2},z_{2}'
_aflow_params_values '6.12,0.924509803922,0.0,0.318,0.027,0.237'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP8'

_cell_length_a    6.1200000000
_cell_length_b    6.1200000000
_cell_length_c    5.6580000000
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 3 c 1"
_symmetry_Int_Tables_number 158
 
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,y,z+1/2
5 -y,-x,z+1/2
6 x,x-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
Ru1 Ru   2 a 0.00000 0.00000 0.00000 1.00000
Cl1 Cl   6 d 0.31800 0.02700 0.23700 1.00000
