# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'R-carbon'
_chemical_formula_sum 'C'

loop_
_publ_author_name
 'H. Niu'
 'X.-Q. Chen'
 'S. Wang'
 'D. Li'
 'W. L. Mao'
 'Y. Li'
_journal_name_full_name
;
 Physical Review Letters
;
_journal_volume 108
_journal_year 2012
_journal_page_first 135501
_journal_page_last 135501
_publ_Section_title
;
 Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes
;

_aflow_title 'R-carbon Structure'
_aflow_proto 'A_oP16_55_2g2h'
_aflow_params 'a,b/a,c/a,x_{1},y_{1},x_{2},y_{2},x_{3},y_{3},x_{4},y_{4}'
_aflow_params_values '7.7886,0.613101199189,0.320442698303,0.6731,-0.037,0.8435,0.8087,-0.0454,0.8613,0.5704,0.8926'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP16'

_symmetry_space_group_name_H-M "P 21/b 21/a 2/m"
_symmetry_Int_Tables_number 55
 
_cell_length_a    7.78860
_cell_length_b    4.77520
_cell_length_c    2.49580
_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+1/2,y+1/2,-z
4 -x,-y,z
5 -x,-y,-z
6 -x+1/2,y+1/2,z
7 x+1/2,-y+1/2,z
8 x,y,-z
 
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   4 g 0.67310  -0.03700 0.00000 1.00000
C2 C   4 g 0.84350  0.80870  0.00000 1.00000
C3 C   4 h -0.04540 0.86130  0.50000 1.00000
C4 C   4 h 0.57040  0.89260  0.50000 1.00000
