data_MTT

#**************************************************************************
#
# 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                   5.2560(0)
_cell_length_b                  22.0310(0)
_cell_length_c                  11.3840(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 m m n'
_symmetry_Int_Tables_number         59
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,-y,+z'
'1/2-x,1/2+y,-z'
'1/2+x,1/2-y,-z'
'1/2-x,1/2-y,-z'
'1/2+x,1/2+y,-z'
'+x,-y,+z'
'-x,+y,+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.0000    0.1739    0.8651
    O2    O     0.7500    0.2500    0.0000
    O3    O     0.0000    0.1587    0.0938
    O4    O     0.7500    0.1385    0.6775
    O5    O     0.0000    0.2418    0.6750
    O6    O     0.0000    0.0597    0.2225
    O7    O     0.7500    0.1561    0.2938
    O8    O     0.5000    0.1751    0.4903
    O9    O     0.5000    0.0596    0.5488
   O10    O     0.2500    0.0000    0.3856
    T1    Si    0.0000    0.2083    0.9899
    T2    Si    0.0000    0.1733    0.7237
    T3    Si    0.0000    0.1328    0.2259
    T4    Si    0.5000    0.1864    0.3506
    T5    Si    0.5000    0.1280    0.5984
    T6    Si    0.5000    0.0000    0.4671
    T7    Si    0.0000    0.0000    0.3041

