# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'T12'
_chemical_formula_sum 'C'

loop_
_publ_author_name
 'Z. Zhao'
 'F. Tian'
 'X. Dong'
 'Q. Li'
 'Q. Wang'
 'H. Wang'
 'X. Zhong'
 'B. Xu'
 'D. Yu'
 'J. He'
 'H.-T. Wang'
 'Y. Ma'
 'Y. Tian'
_journal_name_full_name
;
 Journal of the American Chemical Society
;
_journal_volume 134
_journal_year 2012
_journal_page_first 12362
_journal_page_last 12365
_publ_Section_title
;
 Tetragonal Allotrope of Group 14 Elements
;

_aflow_title 'C (T12 Group IV) Structure'
_aflow_proto 'A_tP12_138_bi'
_aflow_params 'a,c/a,x_{2},z_{2}'
_aflow_params_values '3.388,1.77420306966,0.086,0.107'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP12'

_symmetry_space_group_name_H-M "P 42/n 21/c 2/m (origin choice 2)"
_symmetry_Int_Tables_number 138
 
_cell_length_a    3.38800
_cell_length_b    3.38800
_cell_length_c    6.01100
_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,-z+1/2
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y+1/2,z
5 -y,-x,-z
6 -y+1/2,x,z+1/2
7 y,-x+1/2,z+1/2
8 y+1/2,x+1/2,-z
9 -x,-y,-z
10 -x+1/2,y,z+1/2
11 x,-y+1/2,z+1/2
12 x+1/2,y+1/2,-z
13 y,x,z
14 y+1/2,-x,-z+1/2
15 -y,x+1/2,-z+1/2
16 -y+1/2,-x+1/2,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 b 0.75000 0.25000 0.75000 1.00000
C2 C   8 i 0.08600 0.08600 0.10700 1.00000
