# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Benzene'
_chemical_formula_sum 'C H'

loop_
_publ_author_name
 'S. K Nayak'
 'R. Sathishkumar'
 'T. N. {Guru Row}'
_journal_name_full_name
;
 CrystEngComm
;
_journal_volume 12
_journal_year 2010
_journal_page_first 3112
_journal_page_last 3118
_publ_Section_title
;
 Directing role of functional groups in selective generation of C-H-$π$ interactions: In situ cryo-crystallographic studies on benzyl derivatives
;

_aflow_title 'Benzene Structure'
_aflow_proto 'AB_oP48_61_3c_3c'
_aflow_params 'a,b/a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6}'
_aflow_params_values '6.914,1.08128435059,1.38313566676,0.1297,0.5762,0.40803,0.1235,0.6328,0.54518,0.0057,0.4432,0.36289,0.2172,0.6275,0.346,0.2068,0.7225,0.5756,0.0095,0.4051,0.2704'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP48'

_symmetry_space_group_name_H-M "P 21/b 21/c 21/a"
_symmetry_Int_Tables_number 61
 
_cell_length_a    6.91400
_cell_length_b    7.47600
_cell_length_c    9.56300
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
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+1/2,-z+1/2
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x+1/2,y+1/2,z
7 x,-y+1/2,z+1/2
8 x+1/2,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
C1 C   8 c 0.12970 0.57620 0.40803  1.00000
C2 C   8 c 0.12350 0.63280 0.54518  1.00000
C3 C   8 c 0.00570 0.44320 0.36289  1.00000
H1 H   8 c 0.21720 0.62750 0.34600  1.00000
H2 H   8 c 0.20680 0.72250 0.57560  1.00000
H3 H   8 c 0.00950 0.40510 0.27040  1.00000
