# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'I4/mcm'
_chemical_formula_sum 'Se Tl'
 
loop_
_publ_author_name
 'R.R. Yadav'
 'R. P. Ram'
 'S Bhan'
_journal_name_full
;
Zeitschrift f\"{u}r Metallkunde
;
_journal_volume 67
_journal_year 1976
_journal_page_first 173
_journal_page_last 177
_publ_Section_title
;
 On the Thallium-Selenium-Tellurium System
;

# Found in  http://materials.springer.com/isp/crystallographic/docs/sd_0261726

_aflow_proto 'AB_tI16_140_ab_h' 
_aflow_params 'a,c/a,x3' 
_aflow_params_values '8.03,0.87297633873,0.179' 
_aflow_Strukturbericht 'B37' 
_aflow_Pearson 'tI16' 

_symmetry_space_group_name_Hall "-I 4 2c"
_symmetry_space_group_name_H-M "I 4/m c m"
_symmetry_Int_Tables_number 140

_cell_length_a    8.03000
_cell_length_b    8.03000
_cell_length_c    7.01000
_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+1/2
3 -x,y,-z+1/2
4 -x,-y,z
5 -y,-x,-z+1/2
6 -y,x,z
7 y,-x,z
8 y,x,-z+1/2
9 -x,-y,-z
10 -x,y,z+1/2
11 x,-y,z+1/2
12 x,y,-z
13 y,x,z+1/2
14 y,-x,-z
15 -y,x,-z
16 -y,-x,z+1/2
17 x+1/2,y+1/2,z+1/2
18 x+1/2,-y+1/2,-z
19 -x+1/2,y+1/2,-z
20 -x+1/2,-y+1/2,z+1/2
21 -y+1/2,-x+1/2,-z
22 -y+1/2,x+1/2,z+1/2
23 y+1/2,-x+1/2,z+1/2
24 y+1/2,x+1/2,-z
25 -x+1/2,-y+1/2,-z+1/2
26 -x+1/2,y+1/2,z
27 x+1/2,-y+1/2,z
28 x+1/2,y+1/2,-z+1/2
29 y+1/2,x+1/2,z
30 y+1/2,-x+1/2,-z+1/2
31 -y+1/2,x+1/2,-z+1/2
32 -y+1/2,-x+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
Se1 Se   4 a 0.00000 0.00000 0.25000 1.00000
Se2 Se   4 b 0.00000 0.50000 0.25000 1.00000
Tl1 Tl   8 h 0.17900 0.67900 0.00000 1.00000
