# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Wurtzite'
_chemical_formula_sum 'Zn S'
 
loop_
_publ_author_name
 'Erich H. Kisi'
 'Margaret M. Elcombe'
_journal_name_full
;
Acta Crystallographica C
;
_journal_volume 45
_journal_year 1989
_journal_page_first 1867
_journal_page_last 1870
_publ_Section_title
;
 $u$ parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction
;

# Found in  AMS Database

_aflow_proto 'AB_hP4_186_b_b' 
_aflow_params 'a,c/a,z1,z2' 
_aflow_params_values '3.8227,1.63776911607,0.3748,0.0' 
_aflow_Strukturbericht 'B4' 
_aflow_Pearson 'hP4' 

_symmetry_space_group_name_Hall "P 6c -2c"
_symmetry_space_group_name_H-M "P 63 m c"
_symmetry_Int_Tables_number 186

_cell_length_a    3.82270
_cell_length_b    3.82270
_cell_length_c    6.26070
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/2
3 -y,x-y,z
4 -x,-y,z+1/2
5 -x+y,-x,z
6 y,-x+y,z+1/2
7 -x+y,y,z
8 -x,-x+y,z+1/2
9 -y,-x,z
10 x-y,-y,z+1/2
11 x,x-y,z
12 y,x,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
S1  S    2 b 0.33333 0.66667 0.37480 1.00000
Zn1 Zn   2 b 0.33333 0.66667 0.00000 1.00000
