# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Cd Al2 S4'
 
loop_
_publ_author_name
 'Harry Hahn'
 'G\"{u}nter Frank'
 'Wilhelm Klingler'
 'Anne-Dorothee St\"{o}rger'
 'Georg St\"{o}rger'
_journal_name_full
;
Zeitschrift f\"{u}r anorganische und allgemeine Chemie
;
_journal_volume 279
_journal_year 1955
_journal_page_first 241
_journal_page_last 270
_publ_Section_title
;
 Untersuchungen \"{u}ber tern\"{a}re Chalkogenide. VI. \"{U}ber tern\"{a}re Chalogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber
;

# Found in  http://materials.springer.com/isp/crystallographic/docs/sd_0301428

_aflow_proto 'A2BC4_tI14_82_bc_a_g' 
_aflow_params 'a,c/a,x4,y4,z4' 
_aflow_params_values '5.55,1.85585585586,0.26,0.25,0.13' 
_aflow_Strukturbericht 'E3' 
_aflow_Pearson 'tI14' 

_symmetry_space_group_name_Hall "I -4"
_symmetry_space_group_name_H-M "I -4"
_symmetry_Int_Tables_number 82

_cell_length_a    5.55000
_cell_length_b    5.55000
_cell_length_c    10.30000
_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+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
Cd1 Cd   2 a 0.00000 0.00000 0.00000 1.00000
Al1 Al   2 b 0.00000 0.00000 0.50000 1.00000
Al2 Al   2 c 0.00000 0.50000 0.25000 1.00000
S1  S    8 g 0.26000 0.25000 0.13000 1.00000
