data_RTE

#**************************************************************************
#
# 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                  14.0980(0)
_cell_length_b                  13.6700(0)
_cell_length_c                   7.4310(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               102.4210(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.6879    0.1236    0.6245
    O2    O     0.5000    0.1456    0.5000
    O3    O     0.6211    0.1807    0.2835
    O4    O     0.5918    0.0000    0.3808
    O5    O     0.6411    0.1434    0.9466
    O6    O     0.8193    0.1812    0.9123
    O7    O     0.7559    0.0000    0.8921
    O8    O     0.5000    0.2579    0.0000
    T1    Si    0.6001    0.1124    0.4471
    T2    Si    0.7261    0.1122    0.8437
    T3    Si    0.6107    0.2251    0.0797

