# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Titanium telluride'
_chemical_formula_sum 'Ti5 Te4'
 
loop_
_publ_author_name
 'F. Gr\onvold'
 'A. Kjekshus'
 'F. Raaum'
_journal_name_full
;
Acta Crystallographica
;
_journal_volume 14
_journal_year 1961
_journal_page_first 930
_journal_page_last 934
_publ_Section_title
;
 The crystal structure of Ti$_5$Te$_4$
;

# Found in  Pearson's Handbook, Vol. IV, pp. 5321

_aflow_proto 'A4B5_tI18_87_h_ah' 
_aflow_params 'a,c/a,x2,y2,x3,y3' 
_aflow_params_values '10.164,0.37111373475,0.2797,-0.0589,0.3752,0.6856' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'tI18' 

_symmetry_space_group_name_Hall "-I 4"
_symmetry_space_group_name_H-M "I 4/m"
_symmetry_Int_Tables_number 87

_cell_length_a    10.16400
_cell_length_b    10.16400
_cell_length_c    3.77200
_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,-y,z
3 -y,x,z
4 y,-x,z
5 -x,-y,-z
6 x,y,-z
7 y,-x,-z
8 -y,x,-z
9 x+1/2,y+1/2,z+1/2
10 -x+1/2,-y+1/2,z+1/2
11 -y+1/2,x+1/2,z+1/2
12 y+1/2,-x+1/2,z+1/2
13 -x+1/2,-y+1/2,-z+1/2
14 x+1/2,y+1/2,-z+1/2
15 y+1/2,-x+1/2,-z+1/2
16 -y+1/2,x+1/2,-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
Ti1 Ti   2 a 0.00000 0.00000  0.00000 1.00000
Te1 Te   8 h 0.27970 -0.05890 0.00000 1.00000
Ti2 Ti   8 h 0.37520 0.68560  0.00000 1.00000
