#*********************************************************************************
#
# Crystallographic Information File for ITQ-54 
#
# Reference : 
#   Jiang, J., Yun, Y., Zou, X..D., Jorda, J. L. and Corma, A.
#   Chem. Sci, 6, 480-485, (2015)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_ITQ-54
_chemical_name_systematic 'ITQ-54'

_cell_length_a      27.1592
_cell_length_b      25.8461
_cell_length_c      16.3764 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'I m m m'
_symmetry_space_group_name_H-M   'I m m m'
_symmetry_space_group_name_Hall  '-I 2 2'
_space_group.IT_number  71 

 
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Si1  Si  0.442  0.2711  0.0947  1.58  0.373
Ge1  Ge  0.442  0.2711  0.0947  1.58  0.627
Si2  Si  0.2074  0.1566  0.2542  1.58  0.451
Ge2  Ge  0.2074  0.1566  0.2542  1.58  0.549
Si3  Si  0.2499  0.2092  0.0948  1.58  0.299
Ge3  Ge  0.2499  0.2092  0.0948  1.58  0.701
Si4  Si  0.0574  0.1058  0.4057  1.58  0.549
Ge4  Ge  0.0574  0.1058  0.4057  1.58  0.451
Si5  Si  0.1991  0.3129  0.1488  1.58  0.369
Ge5  Ge  0.1991  0.3129  0.1488  1.58  0.631
Si6  Si  0.1561  0.06027  0.3348  1.58  0.693
Ge6  Ge  0.1561  0.06027  0.3348  1.58  0.307
Si7  Si  0.3445  0.2407  0.1919  1.58  0.404
Ge7  Ge  0.3445  0.2407  0.1919  1.58  0.596
Si8  Si  0.2176  0.0591  0.5  1.58  1
Si9  Si  0.1806  0.3859  0  1.58  0.634
Ge9  Ge  0.1806  0.3859  0  1.58  0.366
O1  O  0.4034  0.237  0.1591  4.66  1
O2  O  0.2472  0.184  0  4.66  1
O3  O  0.2409  0  0.5  4.66  1
O4  O  0.4294  0.251  0  4.66  1
O5  O  0  0.0924  0.3794  4.66  1
O6  O  0.1653  0.3511  0.0837  4.66  1
O7  O  0.1841  0.0699  0.4177  4.66  1
O8  O  0.0953  0.0709  0.3421  4.66  1
O9  O  0.1778  0.0987  0.2584  4.66  1
O10  O  0.215  0.1736  0.1578  4.66  1
O11  O  0.3088  0.2073  0.1268  4.66  1
O12  O  0.2298  0.2703  0.0923  4.66  1
O13  O  0.0693  0.086  0.5  4.66  1
O14  O  0.5  0.2576  0.1197  4.66  1
O15  O  0.2604  0.104  0.5  4.66  1
O16  O  0.4285  0.3329  0.1063  4.66  1
O17  O  0.2618  0.1487  0.3013  4.66  1
O18  O  0.164  0  0.2992  4.66  1
O19  O  0.1605  0.2849  0.2146  4.66  1
OH20  O  0.1495  0.4416  0  7.1  1
O21  O  0.3269  0.302  0.1931  4.66  1

# End of data for ITQ-54