/usr/share/avogadro/crystals/zeolites/PUN.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 14.6890(0)
_cell_length_b 8.6450(0)
_cell_length_c 18.9410(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 b c n'
_symmetry_Int_Tables_number 60
_symmetry_cell_setting orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2-x,1/2-y,1/2+z'
'-x,+y,1/2-z'
'1/2+x,1/2-y,-z'
'-x,-y,-z'
'1/2+x,1/2+y,1/2-z'
'+x,-y,1/2+z'
'1/2-x,1/2+y,+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.5601 0.7267 0.5917
O2 O 0.4016 0.6069 0.5561
O3 O 0.2869 0.5063 0.4598
O4 O 0.2772 0.3075 0.3545
O5 O 0.5841 0.7787 0.7253
O6 O 0.4694 0.5656 0.6843
O7 O 0.4557 0.5732 0.4250
O8 O 0.6537 0.9730 0.6323
O9 O 0.1582 0.2964 0.4579
T1 Si 0.6312 0.7946 0.6487
T2 Si 0.4929 0.5808 0.6015
T3 Si 0.2192 0.4094 0.4097
T4 Si 0.3711 0.6208 0.4746
T5 Si 0.0000 0.8280 0.2500
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