#*********************************************************************************
#
# Crystallographic Information File for IM-16 
#
# Reference : 
#   Lorgouilloux, Y., Dodin, M., Paillaud, J.-L., Caullet, P., Michelin, L., Josien, L., Ersen, O., Bats, N.
#   J. Solid State Chem., 182, 622-629, (2009)
#
#
# 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_IM-16
_chemical_name_systematic 'IM-16'

_cell_length_a      15.0861
_cell_length_b      17.7719
_cell_length_c      19.9764 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'C m c m'
_symmetry_space_group_name_H-M   'C m c m'
_symmetry_space_group_name_Hall  '-C 2c 2'
_space_group.IT_number  63 

 
 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
Ge1  Ge  0.3979  0.38872  0.44864  0.0415  0.625
Si1  Si  0.3979  0.38872  0.44864  0.0415  0.375
Ge2  Ge  0.3964  0.33933  0.60215  0.0415  0.526
Si2  Si  0.3964  0.33933  0.60215  0.0415  0.474
Ge3  Ge  0.1034  0.28321  0.59519  0.0415  0.555
Si3  Si  0.1034  0.28321  0.59519  0.0415  0.445
Si4  Si  0.3975  0.16704  0.5595  0.0415  0.478
Ge4  Ge  0.3975  0.16704  0.5595  0.0415  0.522
Si5  Si  0.2258  0.3901  0.67049  0.0415  0.893
Ge5  Ge  0.2258  0.3901  0.67049  0.0415  0.107
Si6  Si  0.276  0.0289  0.57462  0.0415  0.808
Ge6  Ge  0.276  0.0289  0.57462  0.0415  0.192
O1  O  0.3583  0.3685  0.5266  0.0498  1
O2  O  0.5  0.4205  0.453  0.0498  1
O3  O  0.396  0.2466  0.6039  0.0498  1
O4  O  0.3319  0.3749  0.6602  0.0498  1
O5  O  0.5  0.3727  0.6132  0.0498  1
O6  O  0.1735  0.3141  0.6494  0.0498  1
O7  O  0.372  0.1816  0.4792  0.0498  1
O8  O  0.3956  0.3113  0.4035  0.0498  1
O9  O  0.2065  0.4087  0.75  0.0498  1
O10  O  0  0.3147  0.6149  0.0498  1
O11  O  0.327  0.1075  0.5911  0.0498  1
O12  O  0.5  0.1295  0.5624  0.0498  1
O13  O  0.3333  0.4566  0.4163  0.0498  1
O14  O  0.1908  0.4626  0.626  0.0498  1
O15  O  0.2988  0  0.5  0.0498  1
Ow1  O  0  -0.0082  0.1602  0.125  0.109
Ow2  O  0.2488  0.2285  0.5504  0.125  0.157

# End of data for IM-16