data_IMF
#**************************************************************************
#
# 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                  14.2960(0)
_cell_length_b                  56.7880(0)
_cell_length_c                  20.2900(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     'C m c m'
_symmetry_Int_Tables_number         63
_symmetry_cell_setting             orthorhombic

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,1/2+z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,1/2+z'
'1/2-x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,-y,-z'
'1/2+x,1/2-y,-z'
'-x,+y,1/2-z'
'1/2-x,1/2+y,1/2-z'
'+x,+y,1/2-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     0.5922    0.4345    0.5556
    O2    O     0.5000    0.4000    0.4984
    O3    O     0.5000    0.4041    0.6277
    O4    O     0.4081    0.3656    0.6601
    O5    O     0.5000    0.3895    0.7500
    O6    O     0.5000    0.2837    0.7500
    O7    O     0.5921    0.3068    0.6587
    O8    O     0.5000    0.2682    0.6283
    O9    O     0.5000    0.2727    0.0007
   O10    O     0.5915    0.2378    0.9451
   O11    O     0.5000    0.0719    0.6317
   O12    O     0.4081    0.1106    0.6636
   O13    O     0.5000    0.1086    0.5524
   O14    O     0.5000    0.0358    0.5500
   O15    O     0.5915    0.0331    0.6619
   O16    O     0.2271    0.0346    0.0483
   O17    O     0.1969    0.0637    0.9494
   O18    O     0.2682    0.0798    0.0597
   O19    O     0.2329    0.1635    0.1480
   O20    O     0.2587    0.1179    0.1320
   O21    O     0.2252    0.1348    0.2500
   O22    O     0.2666    0.2084    0.1611
   O23    O     0.1938    0.1923    0.0509
   O24    O     0.2354    0.2912    0.0588
   O25    O     0.2500    0.2500    0.0000
   O26    O     0.2367    0.2525    0.1291
   O27    O     0.2273    0.3851    0.2500
   O28    O     0.2571    0.3735    0.1258
   O29    O     0.2344    0.4181    0.1595
   O30    O     0.2733    0.4635    0.1535
   O31    O     0.1929    0.5040    0.1286
   O32    O     0.1978    0.4879    0.2500
   O33    O     0.4084    0.0346    0.0634
   O34    O     0.3284    0.0000    0.0000
   O35    O     0.4074    0.1106    0.0595
   O36    O     0.2471    0.1209    0.0028
   O37    O     0.4080    0.2383    0.1562
   O38    O     0.2823    0.2418    0.2500
   O39    O     0.4079    0.3075    0.0567
   O40    O     0.2644    0.3365    0.0469
   O41    O     0.4076    0.3646    0.0542
   O42    O     0.4083    0.4327    0.1566
   O43    O     0.5000    0.0725    0.0286
   O44    O     0.5000    0.2604    0.2500
   O45    O     0.5000    0.2772    0.1297
   O46    O     0.5000    0.3936    0.1300
   O47    O     0.5000    0.4103    0.2500
    T1    Si    0.1964    0.0610    0.0283
    T2    Si    0.1958    0.1894    0.1297
    T3    Si    0.2036    0.2640    0.0605
    T4    Si    0.3170    0.0181    0.0603
    T5    Si    0.3038    0.3108    0.0279
    T6    Si    0.2951    0.3636    0.0565
    T7    Si    0.3042    0.4376    0.1297
    T8    Si    0.2032    0.3913    0.1744
    T9    Si    0.1884    0.4807    0.1736
   T10    Si    0.2956    0.1072    0.0633
   T11    Si    0.2989    0.2351    0.1738
   T12    Si    0.2023    0.1376    0.1728
   T13    Si    0.5000    0.4183    0.5590
   T14    Si    0.5000    0.2542    0.9407
   T15    Si    0.5000    0.2912    0.4392
   T16    Si    0.5000    0.3807    0.0595
   T17    Si    0.5000    0.4174    0.1733
   T18    Si    0.5000    0.2914    0.6737
   T19    Si    0.5000    0.3812    0.6742
   T20    Si    0.5000    0.1002    0.6282
   T21    Si    0.5000    0.0436    0.6262
   T22    Si    0.5000    0.0442    0.0258
   T23    Si    0.5000    0.1007    0.0238
   T24    Si    0.5000    0.2535    0.1731

