# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Moissanite-6H'
_chemical_formula_sum 'Si C'
 
loop_
_publ_author_name
 'A. Bauer'
 'P. Reischauer'
 'J. Kr\"{a}usslich'
 'N. Schell'
 'W. Matz'
 'K. Goetz'
_journal_name_full
;
Acta Crystallographica A
;
_journal_volume 57
_journal_year 2001
_journal_page_first 60
_journal_page_last 67
_publ_Section_title
;
 Structure refinement of the silicon carbide polytypes 4H and 6H: unambiguous determination of the refinement parameters
;

_aflow_proto 'AB_hP12_186_a2b_a2b' 
_aflow_params 'a,c/a,z1,z2,z3,z4,z5,z6' 
_aflow_params_values '3.08129,4.90695780014,0.1254,0.0,0.29215,-0.0415,0.16675,0.8335' 
_aflow_Strukturbericht 'B6' 
_aflow_Pearson 'hP12' 

_symmetry_space_group_name_Hall "P 6c -2c"
_symmetry_space_group_name_H-M "P 63 m c"
_symmetry_Int_Tables_number 186

_cell_length_a    3.08129
_cell_length_b    3.08129
_cell_length_c    15.11976
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/2
3 -y,x-y,z
4 -x,-y,z+1/2
5 -x+y,-x,z
6 y,-x+y,z+1/2
7 -x+y,y,z
8 -x,-x+y,z+1/2
9 -y,-x,z
10 x-y,-y,z+1/2
11 x,x-y,z
12 y,x,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
C1  C    2 a 0.00000 0.00000 0.12540  1.00000
Si1 Si   2 a 0.00000 0.00000 0.00000  1.00000
C2  C    2 b 0.33333 0.66667 0.29215  1.00000
C3  C    2 b 0.33333 0.66667 -0.04150 1.00000
Si2 Si   2 b 0.33333 0.66667 0.16675  1.00000
Si3 Si   2 b 0.33333 0.66667 0.83350  1.00000
