# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Tl F'
 
loop_
_publ_author_name
 'J. A. A. Ketelaar'
_journal_name_full
;
Zeitschrift f\"{u}r Kristallographie - Crystalline Materials
;
_journal_volume 92
_journal_year 1935
_journal_page_first 30
_journal_page_last 38
_publ_Section_title
;
 Die Kristallstruktur des Thallofluorids
;

# Found in P. Berastegui and S. Hull, J. Solid State Chem. 150, 266-75 (2000)

_aflow_proto 'AB_oF8_69_a_b' 
_aflow_params 'a,b/a,c/a' 
_aflow_params_values '6.08,0.903782894737,0.851973684211' 
_aflow_Strukturbericht 'B24' 
_aflow_Pearson 'oF8' 

_symmetry_space_group_name_Hall "-F 2 2"
_symmetry_space_group_name_H-M "F m m m"
_symmetry_Int_Tables_number 69

_cell_length_a    6.08000
_cell_length_b    5.49500
_cell_length_c    5.18000
_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 -x,y,-z
4 -x,-y,z
5 -x,-y,-z
6 -x,y,z
7 x,-y,z
8 x,y,-z
9 x,y+1/2,z+1/2
10 x,-y+1/2,-z+1/2
11 -x,y+1/2,-z+1/2
12 -x,-y+1/2,z+1/2
13 -x,-y+1/2,-z+1/2
14 -x,y+1/2,z+1/2
15 x,-y+1/2,z+1/2
16 x,y+1/2,-z+1/2
17 x+1/2,y,z+1/2
18 x+1/2,-y,-z+1/2
19 -x+1/2,y,-z+1/2
20 -x+1/2,-y,z+1/2
21 -x+1/2,-y,-z+1/2
22 -x+1/2,y,z+1/2
23 x+1/2,-y,z+1/2
24 x+1/2,y,-z+1/2
25 x+1/2,y+1/2,z
26 x+1/2,-y+1/2,-z
27 -x+1/2,y+1/2,-z
28 -x+1/2,-y+1/2,z
29 -x+1/2,-y+1/2,-z
30 -x+1/2,y+1/2,z
31 x+1/2,-y+1/2,z
32 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
F1  F    4 a 0.00000 0.00000 0.00000 1.00000
Tl1 Tl   4 b 0.00000 0.00000 0.50000 1.00000
