# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'C3 Cr7'
 
loop_
_publ_author_name
 'M. A. Rouault'
 'P. Herpin'
 'M. R. Fruchart'
_journal_name_full
;
Annales de Chimie (Paris)
;
_journal_volume 5
_journal_year 1970
_journal_page_first 461
_journal_page_last 470
_publ_Section_title
;
 Etude Cristallographique des Carbures Cr$_7$C$_3$ et Mn$_7$C$_3$
;

# Found in  Pearson's Handbook Vol. II, p. 1873

_aflow_proto 'A3B7_oP40_62_cd_3c2d' 
_aflow_params 'a,b/a,c/a,x1,z1,x2,z2,x3,z3,x4,z4,x5,y5,z5,x6,y6,z6,x7,y7,z7' 
_aflow_params_values '4.526,1.54882898807,2.68272205038,0.4594,0.5629,0.0579,0.6261,0.2501,0.2063,0.2619,0.4165,0.0288,0.0291,0.3428,0.0565,0.0642,0.8119,0.2509,0.0657,0.0218' 
_aflow_Strukturbericht 'D10_1' 
_aflow_Pearson 'oP40' 

_symmetry_space_group_name_Hall "-P 2ac 2n"
_symmetry_space_group_name_H-M "P n m a"
_symmetry_Int_Tables_number 62

_cell_length_a    4.52600
_cell_length_b    7.01000
_cell_length_c    12.14200
_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 0.45940 0.25000 0.56290 1.00000
Cr1 Cr   4 c 0.05790 0.25000 0.62610  1.00000
Cr2 Cr   4 c 0.25010 0.25000 0.20630  1.00000
Cr3 Cr   4 c 0.26190 0.25000 0.41650  1.00000
C2  C    8 d 0.02880 0.02910 0.34280  1.00000
Cr4 Cr   8 d 0.05650 0.06420 0.81190  1.00000
Cr5 Cr   8 d 0.25090 0.06570 0.02180  1.00000
