/usr/share/avogadro/crystals/oxides/WO2.cif is in avogadro-data 1.2.0-3.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 | # Part of the Crystallography Open Database
# All data on this site have been placed in the public domain by the
# contributors.
# 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_5910153
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Pages 231 & 239 from the second edition of Structure of Crystals by Wyckoff
R W G. Published by The Chemical Catalog Company, INC, New York in 1931.
;
_journal_name_full 'The second edition of Structure of Crystals'
_journal_page_first 231
_journal_page_last 239
_journal_year 1931
_chemical_formula_structural WO2
_chemical_formula_sum 'O2 W'
_chemical_name_systematic 'Tungsten dioxide'
_symmetry_cell_setting tetragonal
_symmetry_Int_Tables_number 136
_symmetry_space_group_name_H-M 'P 42/m n m'
_audit_creation_date 2005-03-11
_audit_creation_method
;
Pages 231 & 239 from the second edition of Structure of Crystals by Wyckoff
R W G. Published by The Chemical Catalog Company, INC, New York in 1931.
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.86
_cell_length_b 4.86
_cell_length_c 2.77
_cell_volume 56.661
_[local]_cod_chemical_formula_sum_orig 'W O2'
_cod_database_code 5910153
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.000000 0.000000 0.000000 W
0.300000 0.300000 0.000000 O
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