# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'S-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 'S-carbon Structure'
_aflow_proto 'A_mP8_10_2m2n'
_aflow_params 'a,b/a,c/a,\beta,x_{1},z_{1},x_{2},z_{2},x_{3},z_{3},x_{4},z_{4}'
_aflow_params_values '4.7302,0.527461840937,0.86332501797,106.1,0.1175,0.6746,0.5344,0.3333,0.1131,0.8977,0.4209,0.1319'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'mP8'

_symmetry_space_group_name_H-M "P 1 2/m 1"
_symmetry_Int_Tables_number 10
 
_cell_length_a    4.73020
_cell_length_b    2.49500
_cell_length_c    4.08370
_cell_angle_alpha 90.00000
_cell_angle_beta  106.10000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z
3 -x,-y,-z
4 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   2 m 0.11750 0.00000 0.67460 1.00000
C2 C   2 m 0.53440 0.00000 0.33330 1.00000
C3 C   2 n 0.11310 0.50000 0.89770 1.00000
C4 C   2 n 0.42090 0.50000 0.13190 1.00000
