# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Aluminum trichloride'
_chemical_formula_sum 'Al Cl3'
 
loop_
_publ_author_name
 'S. I. Troyanov'
_journal_name_full
;
(Russian) Journal of Inorganic Chemistry (translated from Zhurnal Neorganicheskoi Khimii)
;
_journal_volume 37
_journal_year 1992
_journal_page_first 121
_journal_page_last 124
_publ_Section_title
;
 The crystal structure of titanium(II) tetrachloroaluminate Ti(AlCl$_4$)$_2$ and refinement of the crystal structure of AlCl$_3$
;

# Found in  http://materials.springer.com/isp/crystallographic/docs/sd_1250120

_aflow_proto 'AB3_mC16_12_g_ij' 
_aflow_params 'a,b/a,c/a,\beta,y1,x2,z2,x3,y3,z3' 
_aflow_params_values '5.914,1.73047007102,1.03956712885,108.25,0.1662,0.2147,0.2263,0.2518,0.32131,0.2248' 
_aflow_Strukturbericht 'D0_15' 
_aflow_Pearson 'mC16' 

_symmetry_space_group_name_Hall "-C 2y"
_symmetry_space_group_name_H-M "C 1 2/m 1"
_symmetry_Int_Tables_number 12

_cell_length_a    5.91400
_cell_length_b    10.23400
_cell_length_c    6.14800
_cell_angle_alpha 90.00000
_cell_angle_beta  108.25000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z
3 -x,-y,-z
4 x,-y,z
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+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
Al1 Al   4 g 0.00000 0.16620 0.00000 1.00000
Cl1 Cl   4 i 0.21470 0.00000 0.22630 1.00000
Cl2 Cl   8 j 0.25180 0.32131 0.22480 1.00000
