# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'ZnSb2O4'
_chemical_formula_sum 'O4 Sb2 Zn'

loop_
_publ_author_name
 'S. St{\aa}hl'
_journal_name_full_name
;
 Arkiv f{\"o}r Kemi, Mineralogi och Geologi
;
_journal_volume 17B
_journal_year 1943
_journal_page_first 1
_journal_page_last 7
_publ_Section_title
;
 The crystal structure of ZnSb$_{2}$O$_{4}$ and isomorphous compounds
;

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

_aflow_title 'ZnSb$_{2}$O$_{4}$ Structure'
_aflow_proto 'A4B2C_tP28_135_gh_h_d'
_aflow_params 'a,c/a,x_{2},x_{3},y_{3},x_{4},y_{4}'
_aflow_params_values '8.4909023894,0.697208809336,0.169,0.114,0.386,0.167,0.175'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP28'

_cell_length_a    8.4909023894
_cell_length_b    8.4909023894
_cell_length_c    5.9199319451
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 42/m 21/b 2/c"
_symmetry_Int_Tables_number 135
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z
3 -x+1/2,y+1/2,-z
4 -x,-y,z
5 -y+1/2,-x+1/2,-z+1/2
6 -y,x,z+1/2
7 y,-x,z+1/2
8 y+1/2,x+1/2,-z+1/2
9 -x,-y,-z
10 -x+1/2,y+1/2,z
11 x+1/2,-y+1/2,z
12 x,y,-z
13 y+1/2,x+1/2,z+1/2
14 y,-x,-z+1/2
15 -y,x,-z+1/2
16 -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
Zn1 Zn   4 d 0.00000 0.50000 0.25000 1.00000
O1  O    8 g 0.16900 0.66900 0.25000 1.00000
O2  O    8 h 0.11400 0.38600 0.00000 1.00000
Sb1 Sb   8 h 0.16700 0.17500 0.00000 1.00000
