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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004630.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_9004630
_chemical_name 'Alacranite'
loop_
_publ_author_name
'Burns P C'
'Percival J B'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 39
_journal_year 2001
_journal_page_first 809
_journal_page_last 818
_publ_section_title
;
 Alacranite, As4S4: A new occurrence, new formula, and determination
 of the crystal structure
;
_chemical_formula_sum 'As S'
_cell_length_a 9.943
_cell_length_b 9.366
_cell_length_c 8.908
_cell_angle_alpha 90
_cell_angle_beta 102.007
_cell_angle_gamma 90
_cell_volume 811.419
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
As(1)   0.00010   0.20580   0.05620   0.04520
As(2)  -0.15960   0.40240   0.12780   0.04530
S(1)   0.00000   0.05600   0.25000   0.04900
S(2)   0.20230   0.30440   0.16060   0.05100
S(3)   0.00000   0.55270   0.25000   0.05700