data_EEI

#**************************************************************************
#
# 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                  13.8761(0)
_cell_length_b                  35.7450(0)
_cell_length_c                  22.4869(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 	 'Fmmm'
_symmetry_Int_Tables_number      69
_symmetry_cell_setting           orthorhombic

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
T1    Si    0.1966    0.0746   0.3727
T2    Si    0.2107    0.1451   0.1842
T3    Si    0.1878    0.2132   0.3802
T4    Si    0.1104    0.1761   0.5000
T5    Si    0.1109    0.4139   0.0000
T6    Si    0.2119    0.0000   0.1825
T7    Si    0.0000    0.0756   0.2987
T8    Si    0.0000    0.1497   0.2229
T9    Si    0.0000    0.2205   0.3039
T10   Si    0.0000    0.0000   0.2219
O1    O     0.2617    0.1110   0.3596
O2    O     0.1685    0.0717   0.4421
O3    O     0.2493    0.0369   0.3510
O4    O     0.0957    0.0795   0.3383
O5    O     0.2570    0.1840   0.1621
O6    O     0.2500    0.1361   0.2500
O7    O     0.0962    0.1526   0.1832
O8    O     0.2500    0.2500   0.3950
O9    O     0.1619    0.1923   0.4414
O10   O     0.0933    0.2271   0.3451
O11   O     0.0000    0.1899   0.5000
O12   O     0.1144    0.1312   0.5000
O13   O     0.0000    0.4272   0.0000
O14   O     0.0957    0.0000   0.1815
O15   O     0.2500    0.0000   0.2500
O16   O     0.0000    0.1077   0.2485
O17   O     0.0000    0.0362   0.2643
O18   O     0.0000    0.1787   0.2775
O19   O     0.0000    0.2500   0.2500

