# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'TlZn2Sb2'
_chemical_formula_sum 'Sb2 Tl Zn2'

loop_
_publ_author_name
 'A. Czybulka'
 'B. Krenkel'
 'H.-U. Schuster'
_journal_name_full_name
;
 Journal of the Less-Common Metals
;
_journal_volume 137
_journal_year 1988
_journal_page_first 311
_journal_page_last 322
_publ_Section_title
;
 Tern{ä}re zintl-Verbindungen mit thallium als elektronendonator
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'TlZn$_{2}$Sb$_{2}$ Structure'
_aflow_proto 'A2BC2_tI20_79_c_2a_c'
_aflow_params 'a,c/a,z_{1},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '8.6489709127,0.842525147414,0.0,0.4896,0.337,0.164,0.2196,0.1519,0.1578,0.0'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tI20'

_cell_length_a    8.6489709127
_cell_length_b    8.6489709127
_cell_length_c    7.2869754932
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "I 4"
_symmetry_Int_Tables_number 79
 
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+1/2,y+1/2,z+1/2
6 -x+1/2,-y+1/2,z+1/2
7 -y+1/2,x+1/2,z+1/2
8 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
Tl2 Tl   2 a 0.00000 0.00000 0.48960 1.00000
Sb1 Sb   8 c 0.33700 0.16400 0.21960 1.00000
Zn1 Zn   8 c 0.15190 0.15780 0.00000 1.00000
