/usr/share/avogadro/crystals/nitrides/AlN.cif is in avogadro-data 1.2.0-3.
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#$Date: 2012-02-28 15:44:07 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/88/9008860.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_9008860
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Second edition. Interscience Publishers, New York, New York
Note: wurtzite structure
;
_journal_name_full 'Crystal Structures'
_journal_page_first 85
_journal_page_last 237
_journal_volume 1
_journal_year 1963
_chemical_formula_sum 'Al N'
_chemical_name_mineral AlN
_space_group_IT_number 186
_symmetry_space_group_name_Hall 'P 6c -2c'
_symmetry_space_group_name_H-M 'P 63 m c'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 3.111
_cell_length_b 3.111
_cell_length_c 4.978
_cell_volume 41.724
_exptl_crystal_density_diffrn 3.263
_cod_database_code 9008860
_amcsd_database_code AMCSD#0011191
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al 0.33333 0.66667 0.00000
N 0.33333 0.66667 0.38500
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