#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$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
loop_
_publ_author_name
'Wyckoff R W G'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Sample is the alpha form of the monoclinic phase
;
_journal_name_full               'Crystal Structures'
_journal_page_first              7
_journal_page_last               83
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            Se
_chemical_name_mineral           Selenium
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.767
_cell_angle_gamma                90
_cell_length_a                   9.05
_cell_length_b                   9.07
_cell_length_c                   11.61
_cell_volume                     952.904
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