/usr/share/avogadro/crystals/zeolites/DFT.cif is in avogadro-data 1.2.0-3.
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#**************************************************************************
#
# CIF taken from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker
# Database of Zeolite Structures: http://www.iza-structure.org/databases/
#
# All data on this site have been placed in the public domain.
# If you use this work in a scientific publication, you are obligated to
# cite its origin.
#
# The atom coordinates and the cell parameters were optimized with DLS76
# assuming a pure SiO2 composition.
#
#**************************************************************************
_cell_length_a 7.0750(0)
_cell_length_b 7.0750(0)
_cell_length_c 9.0230(0)
_cell_angle_alpha 90.0000(0)
_cell_angle_beta 90.0000(0)
_cell_angle_gamma 90.0000(0)
_symmetry_space_group_name_H-M 'P 42/m m c'
_symmetry_Int_Tables_number 131
_symmetry_cell_setting tetragonal
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-y,+x,1/2+z'
'-x,-y,+z'
'+y,-x,1/2+z'
'-x,+y,+z'
'+y,+x,1/2+z'
'+x,-y,+z'
'-y,-x,1/2+z'
'-x,-y,-z'
'+y,-x,1/2-z'
'+x,+y,-z'
'-y,+x,1/2-z'
'+x,-y,-z'
'-y,-x,1/2-z'
'-x,+y,-z'
'+y,+x,1/2-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.6857 0.3143 0.2500
O2 O 0.7258 0.5000 0.0000
O3 O 0.0000 0.5000 0.1976
T1 Si 0.7749 0.5000 0.1740
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