# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Downeyite'
_chemical_formula_sum 'O2 Se'

loop_
_publ_author_name
 'K. St{\aa}hl'
 'J. P. Legros'
 'J. Galy'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Kristallographie - Crystalline Materials
;
_journal_volume 202
_journal_year 1992
_journal_page_first 99
_journal_page_last 107
_publ_Section_title
;
 The crystal structure of SeO$_{2}$ at 139 and 286 K
;

# Found in The American Mineralogist Crystal Structure Database, 2003

_aflow_title 'Downeyite (SeO$_{2}$, $C47$) Structure'
_aflow_proto 'A2B_tP24_135_gh_h'
_aflow_params 'a,c/a,x_{1},x_{2},y_{2},x_{3},y_{3}'
_aflow_params_values '8.3218,0.607332548247,0.36248,-0.05789,0.17358,0.13396,0.20929'
_aflow_Strukturbericht '$C47$'
_aflow_Pearson 'tP24'

_symmetry_space_group_name_H-M "P 42/m 21/b 2/c"
_symmetry_Int_Tables_number 135
 
_cell_length_a    8.32180
_cell_length_b    8.32180
_cell_length_c    5.05410
_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+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
O1  O    8 g 0.36248 0.86248 0.25000 1.00000
O2  O    8 h -0.05789 0.17358 0.00000 1.00000
Se1 Se   8 h 0.13396 0.20929 0.00000 1.00000
