data_global
_chemical_name_mineral 'Quartz'
loop_
_publ_author_name
'Brill R'
'Hermann C'
'Peters C'
_journal_name_full 'Naturwissenschaften'
_journal_volume 27 
_journal_year 1939
_journal_page_first 676
_journal_page_last 677
_publ_section_title
;
 Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung
 im Quarz
 _cod_database_code 1011172
;
_database_code_amcsd 0018049
_chemical_formula_sum 'Si O2'
_cell_length_a 4.913
_cell_length_b 4.913
_cell_length_c 5.405
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 112.985
_exptl_crystal_density_diffrn      2.649
_symmetry_space_group_name_H-M 'P 31 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,1/3+z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,2/3+z'
  'x-y,-y,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1   0.46500   0.00000   0.33333
O1   0.41500   0.27200   0.21300