#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008210.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_9008210
_chemical_name 'Realgar'
loop_
_publ_author_name
'Mullen D J E'
'Nowacki W'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 136
_journal_year 1972
_journal_page_first 48
_journal_page_last 65
_publ_section_title
;
 Refinement of the crystal structures of realgar, AsS and orpiment, As2S3
 Locality: Lengenbach quarry, Binnatal, Switzerland
;
_chemical_formula_sum 'As S'
_cell_length_a 9.325
_cell_length_b 13.571
_cell_length_c 6.587
_cell_angle_alpha 90
_cell_angle_beta 106.38
_cell_angle_gamma 90
_cell_volume 799.749
_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
As1   0.12199   0.02060   0.76392
As2   0.42373   0.86090   0.85582
As3   0.32051   0.87334   0.17716
As4   0.04014   0.83917   0.71491
S1   0.34521   0.00604   0.70138
S2   0.21388   0.02299   0.11566
S3   0.23875   0.77413   0.63924
S4   0.10702   0.78976   0.05105