# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'quartz (alpha)'
_chemical_formula_sum 'Si O2'
 
loop_
_publ_author_name
 'R. M. Hazen'
 'L. W. Finger'
 'R. J. Hemley'
 'H. K. Mao'
_journal_name_full
;
Solid State Communications
;
_journal_volume 72
_journal_year 1989
_journal_page_first 507
_journal_page_last 511
_publ_Section_title
;
 High-pressure crystal chemistry and amorphization of $α$-quartz
;

# Found in  AMS Database

_aflow_proto 'A2B_hP9_152_c_a' 
_aflow_params 'a,c/a,x1,x2,y2,z2' 
_aflow_params_values '4.914,1.10012210012,0.4699,0.413,0.2668,0.214' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'hP9' 

_symmetry_space_group_name_Hall "P 31 2"
_symmetry_space_group_name_H-M "P 31 2 1"
_symmetry_Int_Tables_number 152

_cell_length_a    4.91400
_cell_length_b    4.91400
_cell_length_c    5.40600
_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 -y,x-y,z+1/3
3 -x+y,-x,z+2/3
4 x-y,-y,-z+2/3
5 y,x,-z
6 -x,-x+y,-z+1/3
 
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
Si1 Si   3 a 0.46990 0.00000 0.33333 1.00000
O1  O    6 c 0.41300 0.26680 0.21400 1.00000
