/usr/share/avogadro/crystals/zeolites/DDR.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 13.7950(0)
_cell_length_b 13.7950(0)
_cell_length_c 40.7500(0)
_cell_angle_alpha 90.0000(0)
_cell_angle_beta 90.0000(0)
_cell_angle_gamma 120.0000(0)
_symmetry_space_group_name_H-M 'R -3 m'
_symmetry_Int_Tables_number 166
_symmetry_cell_setting trigonal
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'2/3+x,1/3+y,1/3+z'
'1/3+x,2/3+y,2/3+z'
'-y,+x-y,+z'
'2/3-y,1/3+x-y,1/3+z'
'1/3-y,2/3+x-y,2/3+z'
'-x+y,-x,+z'
'2/3-x+y,1/3-x,1/3+z'
'1/3-x+y,2/3-x,2/3+z'
'-y,-x,+z'
'2/3-y,1/3-x,1/3+z'
'1/3-y,2/3-x,2/3+z'
'-x+y,+y,+z'
'2/3-x+y,1/3+y,1/3+z'
'1/3-x+y,2/3+y,2/3+z'
'+x,+x-y,+z'
'2/3+x,1/3+x-y,1/3+z'
'1/3+x,2/3+x-y,2/3+z'
'-x,-y,-z'
'2/3-x,1/3-y,1/3-z'
'1/3-x,2/3-y,2/3-z'
'+y,-x+y,-z'
'2/3+y,1/3-x+y,1/3-z'
'1/3+y,2/3-x+y,2/3-z'
'+x-y,+x,-z'
'2/3+x-y,1/3+x,1/3-z'
'1/3+x-y,2/3+x,2/3-z'
'+y,+x,-z'
'2/3+y,1/3+x,1/3-z'
'1/3+y,2/3+x,2/3-z'
'+x-y,-y,-z'
'2/3+x-y,1/3-y,1/3-z'
'1/3+x-y,2/3-y,2/3-z'
'-x,-x+y,-z'
'2/3-x,1/3-x+y,1/3-z'
'1/3-x,2/3-x+y,2/3-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.6889 0.9394 0.0896
O2 O 0.6439 0.0984 0.0793
O3 O 0.8539 0.1461 0.0799
O4 O 0.7223 0.0308 0.0310
O5 O 0.1495 0.2991 0.1455
O6 O 0.0638 0.1276 0.1041
O7 O 0.1738 0.3477 0.2083
O8 O 0.1423 0.4756 0.1667
O9 O 0.0638 0.1275 0.2081
O10 O 0.1055 0.8945 0.0091
O11 O 0.0000 0.0000 0.1561
T1 Si 0.7281 0.0539 0.0698
T2 Si 0.1309 0.2618 0.1075
T3 Si 0.1999 0.3999 0.1718
T4 Si 0.1187 0.2374 0.2309
T5 Si 0.2256 0.0000 0.0000
T6 Si 0.0000 0.0000 0.1956
T7 Si 0.0000 0.0000 0.1166
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