data_STT

#**************************************************************************
#
# 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/ 
#
# The atom coordinates and the cell parameters were optimized with DLS76
# assuming a pure SiO2 composition.
#
#**************************************************************************

_cell_length_a                  13.0500(0)
_cell_length_b                  21.8530(0)
_cell_length_c                  13.5730(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               102.9050(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_Int_Tables_number         14
_space_group.IT_coordinate_system_code  '2'
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2-x,1/2+y,1/2-z'
'-x,-y,-z'
'1/2+x,1/2-y,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     0.6215    0.5346    0.0155
    O2    O     0.6032    0.1588    0.3277
    O3    O     0.8680    0.4022    0.2639
    O4    O     0.6675    0.2380    0.4763
    O5    O     0.5604    0.1412    0.5059
    O6    O     0.7304    0.3291    0.1483
    O7    O     0.7422    0.4441    0.0985
    O8    O     0.6218    0.2329    0.1808
    O9    O     0.4368    0.4177    0.4743
   O10    O     0.9389    0.4019    0.4607
   O11    O     0.3944    0.1319    0.5850
   O12    O     0.5540    0.4577    0.1368
   O13    O     0.6251    0.5902    0.8447
   O14    O     0.7542    0.1292    0.4842
   O15    O     0.5222    0.4334    0.3178
   O16    O     0.4011    0.0718    0.4182
   O17    O     0.7050    0.5358    0.2099
   O18    O     0.6798    0.1180    0.1760
   O19    O     0.4805    0.1453    0.1455
   O20    O     0.6007    0.3519    0.4561
   O21    O     0.5214    0.0384    0.5913
   O22    O     0.2377    0.4488    0.4155
   O23    O     0.7872    0.5246    0.9372
   O24    O     0.6759    0.5581    0.3912
   O25    O     0.1630    0.5602    0.4053
   O26    O     0.7092    0.3056    0.3315
   O27    O     0.5465    0.3435    0.1951
   O28    O     0.8476    0.5006    0.3692
   O29    O     0.0345    0.4675    0.3457
   O30    O     0.3284    0.0013    0.2605
   O31    O     0.8026    0.3290    0.5194
   O32    O     0.6221    0.4693    0.4991
    T1    Si    0.5962    0.1637    0.2081
    T2    Si    0.6463    0.1669    0.4476
    T3    Si    0.6951    0.5699    0.9531
    T4    Si    0.6551    0.4928    0.1153
    T5    Si    0.6516    0.3025    0.2137
    T6    Si    0.6948    0.3063    0.4462
    T7    Si    0.4998    0.4112    0.2019
    T8    Si    0.4694    0.0961    0.5248
    T9    Si    0.7630    0.5527    0.3241
   T10    Si    0.3735    0.0026    0.3809
   T11    Si    0.1505    0.4942    0.3513
   T12    Si    0.8093    0.3859    0.1496
   T13    Si    0.5454    0.4180    0.4367
   T14    Si    0.8904    0.3812    0.5547
   T15    Si    0.3446    0.4597    0.4997
   T16    Si    0.9223    0.4432    0.3600

