data_EPI

#**************************************************************************
#
# 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                   9.1270(0)
_cell_length_b                  17.4800(0)
_cell_length_c                  10.3770(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               124.9390(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     0.8184    0.1141    0.1264
    O2    O     0.0390    0.0000    0.1921
    O3    O     0.1647    0.1376    0.3007
    O4    O     0.0000    0.1091    0.0000
    O5    O     0.2784    0.2692    0.2641
    O6    O     0.2500    0.2500    0.5000
    O7    O     0.5000    0.1777    0.5000
    O8    O     0.5000    0.1749    0.0000
    O9    O     0.7500    0.2500    0.0000
    T1    Si    0.0049    0.0900    0.1541
    T2    Si    0.2976    0.2087    0.3899
    T3    Si    0.7107    0.1925    0.0977

