/usr/share/avogadro/crystals/zeolites/ANA.cif is in avogadro-data 1.2.0-3.
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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 | data_ANA
#**************************************************************************
#
# 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 13.5670(0)
_cell_length_b 13.5670(0)
_cell_length_c 13.5670(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 'I a 3 d'
_symmetry_Int_Tables_number 230
_symmetry_cell_setting cubic
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,1/2+z'
'+z,+x,+y'
'1/2+z,1/2+x,1/2+y'
'+y,+z,+x'
'1/2+y,1/2+z,1/2+x'
'1/2+x,+y,1/2-z'
'+x,1/2+y,-z'
'1/2+z,+x,1/2-y'
'+z,1/2+x,-y'
'1/2+y,+z,1/2-x'
'+y,1/2+z,-x'
'1/2-x,1/2+y,+z'
'-x,+y,1/2+z'
'1/2-z,1/2+x,+y'
'-z,+x,1/2+y'
'1/2-y,1/2+z,+x'
'-y,+z,1/2+x'
'-x,1/2+y,1/2-z'
'1/2-x,+y,-z'
'-z,1/2+x,1/2-y'
'1/2-z,+x,-y'
'-y,1/2+z,1/2-x'
'1/2-y,+z,-x'
'1/4+y,1/4+x,1/4+z'
'3/4+y,3/4+x,3/4+z'
'1/4+x,1/4+z,1/4+y'
'3/4+x,3/4+z,3/4+y'
'1/4+z,1/4+y,1/4+x'
'3/4+z,3/4+y,3/4+x'
'1/4+y,3/4+x,3/4-z'
'3/4+y,1/4+x,1/4-z'
'1/4+x,3/4+z,3/4-y'
'3/4+x,1/4+z,1/4-y'
'1/4+z,3/4+y,3/4-x'
'3/4+z,1/4+y,1/4-x'
'3/4+y,3/4-x,1/4+z'
'1/4+y,1/4-x,3/4+z'
'3/4+x,3/4-z,1/4+y'
'1/4+x,1/4-z,3/4+y'
'3/4+z,3/4-y,1/4+x'
'1/4+z,1/4-y,3/4+x'
'3/4+y,1/4-x,3/4-z'
'1/4+y,3/4-x,1/4-z'
'3/4+x,1/4-z,3/4-y'
'1/4+x,3/4-z,1/4-y'
'3/4+z,1/4-y,3/4-x'
'1/4+z,3/4-y,1/4-x'
'-x,-y,-z'
'1/2-x,1/2-y,1/2-z'
'-z,-x,-y'
'1/2-z,1/2-x,1/2-y'
'-y,-z,-x'
'1/2-y,1/2-z,1/2-x'
'1/2-x,-y,1/2+z'
'-x,1/2-y,+z'
'1/2-z,-x,1/2+y'
'-z,1/2-x,+y'
'1/2-y,-z,1/2+x'
'-y,1/2-z,+x'
'1/2+x,1/2-y,-z'
'+x,-y,1/2-z'
'1/2+z,1/2-x,-y'
'+z,-x,1/2-y'
'1/2+y,1/2-z,-x'
'+y,-z,1/2-x'
'+x,1/2-y,1/2+z'
'1/2+x,-y,+z'
'+z,1/2-x,1/2+y'
'1/2+z,-x,+y'
'+y,1/2-z,1/2+x'
'1/2+y,-z,+x'
'3/4-y,3/4-x,3/4-z'
'1/4-y,1/4-x,1/4-z'
'3/4-x,3/4-z,3/4-y'
'1/4-x,1/4-z,1/4-y'
'3/4-z,3/4-y,3/4-x'
'1/4-z,1/4-y,1/4-x'
'3/4-y,1/4-x,1/4+z'
'1/4-y,3/4-x,3/4+z'
'3/4-x,1/4-z,1/4+y'
'1/4-x,3/4-z,3/4+y'
'3/4-z,1/4-y,1/4+x'
'1/4-z,3/4-y,3/4+x'
'1/4-y,1/4+x,3/4-z'
'3/4-y,3/4+x,1/4-z'
'1/4-x,1/4+z,3/4-y'
'3/4-x,3/4+z,1/4-y'
'1/4-z,1/4+y,3/4-x'
'3/4-z,3/4+y,1/4-x'
'1/4-y,3/4+x,1/4+z'
'3/4-y,1/4+x,3/4+z'
'1/4-x,3/4+z,1/4+y'
'3/4-x,1/4+z,3/4+y'
'1/4-z,3/4+y,1/4+x'
'3/4-z,1/4+y,3/4+x'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.6417 0.4716 0.1180
T1 Si 0.6616 0.5884 0.1250
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