data_OKO

#**************************************************************************
#
# 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    24.06381
_cell_length_b    13.83322
_cell_length_c    12.35160
_cell_angle_alpha   90.00000
_cell_angle_beta   109.12820
_cell_angle_gamma   90.00000

_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_Int_Tables_number     12
_space_group_crystal_system   	monoclinic

loop_
  _symmetry_equiv_pos_as_xyz
X,Y,Z
X,-Y,Z
-X,-Y,-Z
-X,Y,-Z
X+1/2,Y+1/2,Z
X+1/2,-Y+1/2,Z
-X+1/2,-Y+1/2,-Z
-X+1/2,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  0.30734   0.79428   0.25172 
T2   Si  0.31390   0.79182   0.51052 
T3   Si  0.31918   0.79274   0.86499 
T4   Si  0.36279   0.69137   0.09354 
T5   Si  0.38772   0.69128   0.73301 
T6   Si  0.99052   0.88611   0.12165 
T7   Si  0.26765   0.00000   0.78013 
T8   Si  0.21154   0.50000   0.82652 
T9   Si  0.31105   0.50000   0.71249 
T10  Si  0.21946   0.50000   0.45809 
T11  Si  0.29462   0.50000   0.05670 
O1   O   0.32386   0.90300   0.22624 
O2   O   0.34575   0.71973   0.20513 
O3   O   0.32387   0.78171   0.38829 
O4   O   0.23821   0.77290   0.19189 
O5   O   0.31918   0.90386   0.54843 
O6   O   0.25000   0.75000   0.50000 
O7   O   0.36500   0.73203   0.60392 
O8   O   0.34296   0.77813   0.00193 
O9   O   0.30452   0.90517   0.83622 
O10  O   0.37239   0.76747   0.81758 
O11  O   0.32790   0.59528   0.03545 
O12  O   0.35198   0.59456   0.73975 
O13  O   0.20882   0.00000   0.81527 
O14  O   0.25214   0.00000   0.64319 
O15  O   0.22932   0.50000   0.96418 
O16  O   0.27122   0.50000   0.79454 
O17  O   0.27152   0.50000   0.57947 
O18  O   0.04359   0.83654   0.22201 
O19  O   0.93177   0.83139   0.12370 
O20  O   0.00000   0.13071   0.00000 
O21  O   0.98688   0.00000   0.14525 
