#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008581.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9008581
_chemical_name 'Selenium'
loop_
_publ_author_name
'Wyckoff R W G'
_journal_name_full "Crystal Structures"
_journal_volume 1
_journal_year 1963
_journal_page_first 7
_journal_page_last 83
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Sample is the alpha form of the monoclinic phase
;
_chemical_formula_sum 'Se'
_cell_length_a 9.05
_cell_length_b 9.07
_cell_length_c 11.61
_cell_angle_alpha 90
_cell_angle_beta 90.767
_cell_angle_gamma 90
_cell_volume 952.904
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Se1   0.32100   0.48600   0.23700
Se2   0.42700   0.66400   0.35700
Se3   0.31700   0.63700   0.53500
Se4   0.13400   0.82000   0.55600
Se5  -0.08100   0.68600   0.52100
Se6  -0.15600   0.73300   0.32800
Se7  -0.08400   0.52000   0.22900
Se8   0.13100   0.59700   0.13400