# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'SiO2'
_chemical_formula_sum 'O2 Si'

loop_
_publ_author_name
 'M. D. Foster'
 'O. {Delgado Friedrichs}'
 'R. G. Bell'
 'F. A. {Almeida Paz}'
 'J. Klinowski'
_journal_name_full_name
;
 Journal of the American Chemical Society
;
_journal_volume 126
_journal_year 2004
_journal_page_first 9769
_journal_page_last 9775
_publ_Section_title
;
 Chemical Evaluation of Hypothetical Uninodal Zeolites
;

# Found in Inorganic Crystal Structure Database

_aflow_title 'SiO$_{2}$ Structure'
_aflow_proto 'A2B_hP36_177_j2lm_n'
_aflow_params 'a,c/a,x_{1},x_{2},x_{3},x_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '12.7835,0.291064262526,0.61855,0.39242,0.79257,0.44445,0.52169,0.86952,0.16458'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP36'

_cell_length_a    12.7835000000
_cell_length_b    12.7835000000
_cell_length_c    3.7208200000
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 6 2 2"
_symmetry_Int_Tables_number 177
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z
3 -y,x-y,z
4 -x,-y,z
5 -x+y,-x,z
6 y,-x+y,z
7 x-y,-y,-z
8 x,x-y,-z
9 y,x,-z
10 -x+y,y,-z
11 -x,-x+y,-z
12 -y,-x,-z
 
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    6 j 0.61855 0.00000 0.00000 1.00000
O2  O    6 l 0.39242 0.60758 0.00000 1.00000
O3  O    6 l 0.79257 0.20743 0.00000 1.00000
O4  O    6 m 0.44445 0.55555 0.50000 1.00000
Si1 Si  12 n 0.52169 0.86952 0.16458 1.00000
