# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Tongbaite'
_chemical_formula_sum 'C2 Cr3'

loop_
_publ_author_name
 'S. Rundqvist'
 'G. Runnsj{ö}'
_journal_name_full_name
;
 Acta Chemica Scandinavica
;
_journal_volume 23
_journal_year 1969
_journal_page_first 1191
_journal_page_last 1199
_publ_Section_title
;
 Crystal Structure Refinement of Cr$_{3}$C$_{2}$
;

_aflow_title 'Tongbaite (Cr$_{3}$C$_{2}$, $D5_{10}$) Structure'
_aflow_proto 'A2B3_oP20_62_2c_3c'
_aflow_params 'a,b/a,c/a,x_{1},z_{1},x_{2},z_{2},x_{3},z_{3},x_{4},z_{4},x_{5},z_{5}'
_aflow_params_values '5.5329,0.511305102207,2.07339731425,0.1008,0.2055,0.2432,-0.0464,0.0157,0.4015,0.1808,0.7737,0.8691,-0.0688'
_aflow_Strukturbericht '$D5_{10}$'
_aflow_Pearson 'oP20'

_symmetry_space_group_name_H-M "P 21/n 21/m 21/a"
_symmetry_Int_Tables_number 62
 
_cell_length_a    5.53290
_cell_length_b    2.82900
_cell_length_c    11.47190
_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+1/2
3 -x,y+1/2,-z
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x+1/2,y+1/2,z+1/2
7 x,-y+1/2,z
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    4 c 0.10080 0.25000 0.20550 1.00000
C2  C    4 c 0.24320 0.25000 -0.04640 1.00000
Cr1 Cr   4 c 0.01570 0.25000 0.40150 1.00000
Cr2 Cr   4 c 0.18080 0.25000 0.77370 1.00000
Cr3 Cr   4 c 0.86910 0.25000 -0.06880 1.00000
