/usr/share/avogadro/crystals/carbides/WC.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/9/9007456.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_9007456
loop_
_publ_author_name
'Leciejewicz, J.'
_publ_section_title
;
A note on the structure of tungsten carbide
;
_journal_name_full 'Acta Crystallographica'
_journal_page_first 200
_journal_page_last 200
_journal_volume 14
_journal_year 1961
_chemical_formula_sum 'C W'
_chemical_name_mineral WC
_space_group_IT_number 187
_symmetry_space_group_name_Hall 'P -6 2'
_symmetry_space_group_name_H-M 'P -6 m 2'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 2.9065
_cell_length_b 2.9065
_cell_length_c 2.8366
_cell_volume 20.752
_exptl_crystal_density_diffrn 15.672
_[local]_cod_chemical_formula_sum_orig 'W C'
_cod_database_code 9007456
_amcsd_database_code AMCSD#0009183
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,x-y,-z
-x+y,-x,-z
-y,-x,z
-y,x-y,z
-x+y,y,-z
x,y,-z
x,x-y,z
-x+y,-x,z
-y,-x,-z
-y,x-y,-z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
W 0.00000 0.00000 0.00000 0.01406
C 0.66667 0.33333 0.50000 0.01406
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