# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'CrCl3'
_chemical_formula_sum 'Cl3 Cr'

loop_
_publ_author_name
 'N. Wooster'
_journal_name_full_name
;
 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 The American Mineralogist Crystal Structure Database, 2003

_aflow_title 'CrCl$_{3}$ Structure'
_aflow_proto 'A3B_hP24_153_3c_2b'
_aflow_params 'a,c/a,x_{1},x_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '6.017,2.87518697025,0.1111,0.4444,0.1111,0.2222,0.09357,0.4444,0.8888,0.09357,0.77778,0.55558,0.09357'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP24'

_cell_length_a    6.0170000000
_cell_length_b    6.0170000000
_cell_length_c    17.3000000000
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 32 1 2"
_symmetry_Int_Tables_number 153
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z+2/3
3 -x+y,-x,z+1/3
4 x,x-y,-z
5 -x+y,y,-z+2/3
6 -y,-x,-z+1/3
 
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 b 0.11110 0.88890 0.16667 1.00000
Cr2 Cr   3 b 0.44440 0.55560 0.16667 1.00000
Cl1 Cl   6 c 0.11110 0.22220 0.09357 1.00000
Cl2 Cl   6 c 0.44440 0.88880 0.09357 1.00000
Cl3 Cl   6 c 0.77778 0.55558 0.09357 1.00000
