/usr/share/avogadro/crystals/elements/C-Lonsdaleite.cif is in avogadro-data 1.2.0-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 | # 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_global
_chemical_name_mineral 'Lonsdaleite'
loop_
_publ_author_name
'Bundy F P'
'Kasper J S'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 46
_journal_year 1967
_journal_page_first 3437
_journal_page_last 3446
_publ_section_title
;
Hexagonal diamond-a new form of carbon
;
_database_code_amcsd 0012989
_chemical_formula_sum 'C'
_cell_length_a 2.52
_cell_length_b 2.52
_cell_length_c 4.12
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 22.658
_exptl_crystal_density_diffrn 3.521
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
'x,y,z'
'-x,-x+y,1/2+z'
'x,x-y,1/2-z'
'-x+y,-x,1/2-z'
'x-y,x,1/2+z'
'-y,-x,z'
'y,x,-z'
'y,-x+y,-z'
'-y,x-y,z'
'x-y,-y,1/2+z'
'-x+y,y,1/2-z'
'x,y,1/2-z'
'-x,-y,1/2+z'
'x,x-y,z'
'-x,-x+y,-z'
'x-y,x,-z'
'-x+y,-x,z'
'y,x,1/2+z'
'-y,-x,1/2-z'
'-y,x-y,1/2-z'
'y,-x+y,1/2+z'
'-x+y,y,z'
'x-y,-y,-z'
'-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C 0.33333 0.66667 0.06250
|