data_MEI

#**************************************************************************
#
# 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                  13.1140(0)
_cell_length_b                  13.1140(0)
_cell_length_c                  15.5630(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma              120.0000(0)

_symmetry_space_group_name_H-M     'P 63/m'
_symmetry_Int_Tables_number         176
_symmetry_cell_setting             hexagonal

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-y,+x-y,+z'
'-x+y,-x,+z'
'-x,-y,1/2+z'
'+y,-x+y,1/2+z'
'+x-y,+x,1/2+z'
'-x,-y,-z'
'+y,-x+y,-z'
'+x-y,+x,-z'
'+x,+y,1/2-z'
'-y,+x-y,1/2-z'
'-x+y,-x,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     0.8030    0.2269    0.5039
    O2    O     0.6496    0.2101    0.3881
    O3    O     0.6461    0.0192    0.4444
    O4    O     0.5800    0.1358    0.5458
    O5    O     0.4498    0.1563    0.6655
    O6    O     0.5645    0.3563    0.7500
    O7    O     0.6667    0.3333    0.2500
    T1    Si    0.6696    0.1479    0.4705
    T2    Si    0.4519    0.1174    0.5677
    T3    Si    0.5265    0.2189    0.7500
    T4    Si    0.6667    0.3333    0.3533

