data_MTF

#**************************************************************************
#
# 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                   9.6290(0)
_cell_length_b                  30.3940(0)
_cell_length_c                   7.2490(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.4500(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,+z'
'-x,+y,-z'
'1/2-x,1/2+y,-z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,-y,+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     0.2723    0.1441    0.1397
    O2    O     0.0472    0.1861    0.2399
    O3    O     0.2673    0.1856    0.4571
    O4    O     0.1190    0.1135    0.4109
    O5    O     0.0000    0.3890    0.0000
    O6    O     0.1649    0.3405    0.2077
    O7    O     0.2420    0.4196    0.1056
    O8    O     0.1585    0.0000    0.9193
    O9    O     0.0000    0.0676    0.0000
   O10    O     0.0692    0.0526    0.6568
   O11    O     0.0529    0.2690    0.3450
   O12    O     0.3153    0.2689    0.2551
   O13    O     0.0000    0.2492    0.0000
    T1    Si    0.1220    0.0503    0.8678
    T2    Si    0.1767    0.1572    0.3123
    T3    Si    0.1590    0.3760    0.0433
    T4    Si    0.1918    0.2985    0.3379
    T5    Si    0.9785    0.2339    0.2104
    T6    Si    0.0000    0.0833    0.5000

