/usr/share/avogadro/crystals/zeolites/MTN.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 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 | data_MTN
#**************************************************************************
#
# 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 19.9330(0)
_cell_length_b 19.9330(0)
_cell_length_c 19.9330(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 'F d 3 m'
_symmetry_Int_Tables_number 227
_space_group.IT_coordinate_system_code '2'
_symmetry_cell_setting cubic
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'+x,1/2+y,1/2+z'
'1/2+x,1/2+y,+z'
'1/2+x,+y,1/2+z'
'+z,+x,+y'
'+z,1/2+x,1/2+y'
'1/2+z,1/2+x,+y'
'1/2+z,+x,1/2+y'
'+y,+z,+x'
'+y,1/2+z,1/2+x'
'1/2+y,1/2+z,+x'
'1/2+y,+z,1/2+x'
'-x,1/4+y,1/4+z'
'-x,3/4+y,3/4+z'
'1/2-x,3/4+y,1/4+z'
'1/2-x,1/4+y,3/4+z'
'-z,1/4+x,1/4+y'
'-z,3/4+x,3/4+y'
'1/2-z,3/4+x,1/4+y'
'1/2-z,1/4+x,3/4+y'
'-y,1/4+z,1/4+x'
'-y,3/4+z,3/4+x'
'1/2-y,3/4+z,1/4+x'
'1/2-y,1/4+z,3/4+x'
'1/4+x,-y,1/4+z'
'1/4+x,1/2-y,3/4+z'
'3/4+x,1/2-y,1/4+z'
'3/4+x,-y,3/4+z'
'1/4+z,-x,1/4+y'
'1/4+z,1/2-x,3/4+y'
'3/4+z,1/2-x,1/4+y'
'3/4+z,-x,3/4+y'
'1/4+y,-z,1/4+x'
'1/4+y,1/2-z,3/4+x'
'3/4+y,1/2-z,1/4+x'
'3/4+y,-z,3/4+x'
'1/4-x,3/4-y,1/2+z'
'1/4-x,1/4-y,+z'
'3/4-x,1/4-y,1/2+z'
'3/4-x,3/4-y,+z'
'1/4-z,3/4-x,1/2+y'
'1/4-z,1/4-x,+y'
'3/4-z,1/4-x,1/2+y'
'3/4-z,3/4-x,+y'
'1/4-y,3/4-z,1/2+x'
'1/4-y,1/4-z,+x'
'3/4-y,1/4-z,1/2+x'
'3/4-y,3/4-z,+x'
'+y,+x,+z'
'+y,1/2+x,1/2+z'
'1/2+y,1/2+x,+z'
'1/2+y,+x,1/2+z'
'+x,+z,+y'
'+x,1/2+z,1/2+y'
'1/2+x,1/2+z,+y'
'1/2+x,+z,1/2+y'
'+z,+y,+x'
'+z,1/2+y,1/2+x'
'1/2+z,1/2+y,+x'
'1/2+z,+y,1/2+x'
'1/4+y,-x,1/4+z'
'1/4+y,1/2-x,3/4+z'
'3/4+y,1/2-x,1/4+z'
'3/4+y,-x,3/4+z'
'1/4+x,-z,1/4+y'
'1/4+x,1/2-z,3/4+y'
'3/4+x,1/2-z,1/4+y'
'3/4+x,-z,3/4+y'
'1/4+z,-y,1/4+x'
'1/4+z,1/2-y,3/4+x'
'3/4+z,1/2-y,1/4+x'
'3/4+z,-y,3/4+x'
'-y,1/4+x,1/4+z'
'-y,3/4+x,3/4+z'
'1/2-y,3/4+x,1/4+z'
'1/2-y,1/4+x,3/4+z'
'-x,1/4+z,1/4+y'
'-x,3/4+z,3/4+y'
'1/2-x,3/4+z,1/4+y'
'1/2-x,1/4+z,3/4+y'
'-z,1/4+y,1/4+x'
'-z,3/4+y,3/4+x'
'1/2-z,3/4+y,1/4+x'
'1/2-z,1/4+y,3/4+x'
'3/4-y,1/4-x,1/2+z'
'3/4-y,3/4-x,+z'
'1/4-y,3/4-x,1/2+z'
'1/4-y,1/4-x,+z'
'3/4-x,1/4-z,1/2+y'
'3/4-x,3/4-z,+y'
'1/4-x,3/4-z,1/2+y'
'1/4-x,1/4-z,+y'
'3/4-z,1/4-y,1/2+x'
'3/4-z,3/4-y,+x'
'1/4-z,3/4-y,1/2+x'
'1/4-z,1/4-y,+x'
'-x,-y,-z'
'-x,1/2-y,1/2-z'
'1/2-x,1/2-y,-z'
'1/2-x,-y,1/2-z'
'-z,-x,-y'
'-z,1/2-x,1/2-y'
'1/2-z,1/2-x,-y'
'1/2-z,-x,1/2-y'
'-y,-z,-x'
'-y,1/2-z,1/2-x'
'1/2-y,1/2-z,-x'
'1/2-y,-z,1/2-x'
'+x,3/4-y,3/4-z'
'+x,1/4-y,1/4-z'
'1/2+x,1/4-y,3/4-z'
'1/2+x,3/4-y,1/4-z'
'+z,3/4-x,3/4-y'
'+z,1/4-x,1/4-y'
'1/2+z,1/4-x,3/4-y'
'1/2+z,3/4-x,1/4-y'
'+y,3/4-z,3/4-x'
'+y,1/4-z,1/4-x'
'1/2+y,1/4-z,3/4-x'
'1/2+y,3/4-z,1/4-x'
'3/4-x,+y,3/4-z'
'3/4-x,1/2+y,1/4-z'
'1/4-x,1/2+y,3/4-z'
'1/4-x,+y,1/4-z'
'3/4-z,+x,3/4-y'
'3/4-z,1/2+x,1/4-y'
'1/4-z,1/2+x,3/4-y'
'1/4-z,+x,1/4-y'
'3/4-y,+z,3/4-x'
'3/4-y,1/2+z,1/4-x'
'1/4-y,1/2+z,3/4-x'
'1/4-y,+z,1/4-x'
'3/4+x,1/4+y,1/2-z'
'3/4+x,3/4+y,-z'
'1/4+x,3/4+y,1/2-z'
'1/4+x,1/4+y,-z'
'3/4+z,1/4+x,1/2-y'
'3/4+z,3/4+x,-y'
'1/4+z,3/4+x,1/2-y'
'1/4+z,1/4+x,-y'
'3/4+y,1/4+z,1/2-x'
'3/4+y,3/4+z,-x'
'1/4+y,3/4+z,1/2-x'
'1/4+y,1/4+z,-x'
'-y,-x,-z'
'-y,1/2-x,1/2-z'
'1/2-y,1/2-x,-z'
'1/2-y,-x,1/2-z'
'-x,-z,-y'
'-x,1/2-z,1/2-y'
'1/2-x,1/2-z,-y'
'1/2-x,-z,1/2-y'
'-z,-y,-x'
'-z,1/2-y,1/2-x'
'1/2-z,1/2-y,-x'
'1/2-z,-y,1/2-x'
'3/4-y,+x,3/4-z'
'3/4-y,1/2+x,1/4-z'
'1/4-y,1/2+x,3/4-z'
'1/4-y,+x,1/4-z'
'3/4-x,+z,3/4-y'
'3/4-x,1/2+z,1/4-y'
'1/4-x,1/2+z,3/4-y'
'1/4-x,+z,1/4-y'
'3/4-z,+y,3/4-x'
'3/4-z,1/2+y,1/4-x'
'1/4-z,1/2+y,3/4-x'
'1/4-z,+y,1/4-x'
'+y,3/4-x,3/4-z'
'+y,1/4-x,1/4-z'
'1/2+y,1/4-x,3/4-z'
'1/2+y,3/4-x,1/4-z'
'+x,3/4-z,3/4-y'
'+x,1/4-z,1/4-y'
'1/2+x,1/4-z,3/4-y'
'1/2+x,3/4-z,1/4-y'
'+z,3/4-y,3/4-x'
'+z,1/4-y,1/4-x'
'1/2+z,1/4-y,3/4-x'
'1/2+z,3/4-y,1/4-x'
'1/4+y,3/4+x,1/2-z'
'1/4+y,1/4+x,-z'
'3/4+y,1/4+x,1/2-z'
'3/4+y,3/4+x,-z'
'1/4+x,3/4+z,1/2-y'
'1/4+x,1/4+z,-y'
'3/4+x,1/4+z,1/2-y'
'3/4+x,3/4+z,-y'
'1/4+z,3/4+y,1/2-x'
'1/4+z,1/4+y,-x'
'3/4+z,1/4+y,1/2-x'
'3/4+z,3/4+y,-x'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.0485 0.0485 0.2952
O2 O 0.0931 0.0000 0.4069
O3 O 0.1250 0.1250 0.3721
O4 O 0.1716 0.1716 0.1716
T1 Si 0.0680 0.0680 0.3712
T2 Si 0.2181 0.2181 0.2181
T3 Si 0.1250 0.1250 0.1250
|