/usr/share/avogadro/crystals/elements/As-Arsenic.cif is in avogadro-data 1.2.0-3.
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# All data on this site have been placed in the public domain by the
# contributors.
#------------------------------------------------------------------------------
#$Date: 2010-06-10 15:11:07 +0000 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: svn://cod.ibt.lt/cod/cif/9/9008574.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008574
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Second edition. Interscience Publishers, New York, New York
;
_journal_name_full 'Crystal Structures'
_journal_page_first 7
_journal_page_last 83
_journal_volume 1
_journal_year 1963
_chemical_formula_sum As
_chemical_name_mineral Arsenic
_space_group_IT_number 166
_symmetry_space_group_name_Hall '-P 3* 2'
_symmetry_space_group_name_H-M 'R -3 m :R'
_cell_angle_alpha 54.167
_cell_angle_beta 54.167
_cell_angle_gamma 54.167
_cell_length_a 4.131
_cell_length_b 4.131
_cell_length_c 4.131
_cell_volume 43.061
_exptl_crystal_density_diffrn 5.778
_[local]_cod_cif_authors_sg_H-M 'R -3 m'
_cod_database_code 9008574
_amcsd_database_code AMCSD#0010905
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-z,-y
-z,-x,-y
y,x,z
y,z,x
-z,-y,-x
-x,-y,-z
x,z,y
z,x,y
-y,-x,-z
-y,-z,-x
z,y,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As 0.22600 0.22600 0.22600
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