# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Chromium trichloride'
_chemical_formula_sum 'Cr Cl3'
 
loop_
_publ_author_name
 'Nora Wooster'
_journal_name_full
;
Zeitschrift f\"{u}r Kristallographie - Crystalline Materials
;
_journal_volume 74
_journal_year 1930
_journal_page_first 363
_journal_page_last 374
_publ_Section_title
;
 The Structure of Chromium Trichloride CrCl$_3$
;

# Found in  AMS Database

_aflow_proto 'A3B_hP24_151_3c_2a' 
_aflow_params 'a,c/a,x1,x2,x3,y3,z3,x4,y4,z4,x5,y5,z5' 
_aflow_params_values '6.017,2.87518697025,0.8889,0.5556,0.8889,0.1111,0.0731,0.5556,0.4444,0.0731,0.2222,0.77778,0.0731' 
_aflow_Strukturbericht 'D0_4' 
_aflow_Pearson 'hP24' 

_symmetry_space_group_name_Hall "P 31 2c (0 0 1)"
_symmetry_space_group_name_H-M "P 31 1 2"
_symmetry_Int_Tables_number 151

_cell_length_a    6.01700
_cell_length_b    6.01700
_cell_length_c    17.30000
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z+1/3
3 -x+y,-x,z+2/3
4 x,x-y,-z
5 -x+y,y,-z+1/3
6 -y,-x,-z+2/3
 
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
Cr1 Cr   3 a 0.88890 0.11110 0.33333 1.00000
Cr2 Cr   3 a 0.55560 0.44440 0.33333 1.00000
Cl1 Cl   6 c 0.88890 0.11110 0.07310 1.00000
Cl2 Cl   6 c 0.55560 0.44440 0.07310 1.00000
Cl3 Cl   6 c 0.22220 0.77778 0.07310 1.00000
