# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Co2S2Tl'
_chemical_formula_sum 'Co2 S2 Tl'

loop_
_publ_author_name
 'K. Klepp'
 'H. Boller'
_journal_name_full_name
;
 Monatshefte f{\"u}r Chemie - Chemical Monthly
;
_journal_volume 109
_journal_year 1978
_journal_page_first 1049
_journal_page_last 1057
_publ_Section_title
;
 Tern\"{a}re Thallium-\"{U}bergangsmetall-Chalkogenide mit ThCr$_{2}$Si$_{2}$-Struktur
;

# Found in TlCu$_{2}$Se$_{2}$: A p-type metal with a layer structure, 1984

_aflow_title 'TlCo$_{2}$S$_{2}$ Structure'
_aflow_proto 'A2B2C_tI10_139_d_e_a'
_aflow_params 'a,c/a,z_{3}'
_aflow_params_values '3.741,3.46324779471,0.3474'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tI10'

_symmetry_space_group_name_H-M "I 4/m 2/m 2/m"
_symmetry_Int_Tables_number 139
 
_cell_length_a    3.74100
_cell_length_b    3.74100
_cell_length_c    12.95601
_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 -y,-x,-z
6 -y,x,z
7 y,-x,z
8 y,x,-z
9 -x,-y,-z
10 -x,y,z
11 x,-y,z
12 x,y,-z
13 y,x,z
14 y,-x,-z
15 -y,x,-z
16 -y,-x,z
17 x+1/2,y+1/2,z+1/2
18 x+1/2,-y+1/2,-z+1/2
19 -x+1/2,y+1/2,-z+1/2
20 -x+1/2,-y+1/2,z+1/2
21 -y+1/2,-x+1/2,-z+1/2
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+1/2
25 -x+1/2,-y+1/2,-z+1/2
26 -x+1/2,y+1/2,z+1/2
27 x+1/2,-y+1/2,z+1/2
28 x+1/2,y+1/2,-z+1/2
29 y+1/2,x+1/2,z+1/2
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+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
Tl1 Tl 2 a 0.00000 0.00000 0.00000 1.00000
Co1 Co 4 d 0.00000 0.50000 0.25000 1.00000
S1 S 4 e 0.00000 0.00000 0.34740 1.00000