#*********************************************************************************
#
# Crystallographic Information File for LSJ-10 
#
# Reference : 
#   Armstrong, J.A. and Weller, M.T.
#   J. Am. Chem. Soc., 132, 15679-15686, (2010)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_LSJ-10
_chemical_name_systematic 'LSJ-10'

_cell_length_a      12.7069
_cell_length_b      13.2309
_cell_length_c      13.9362 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_space_group.IT_number  62 

 
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
O1  O  0.7119  0.0931  0.4982  1.579  1
O2  O  0.5165  0.1006  0.4299  1.816  1
O3  O  0.5503  0.0851  0.6206  2.842  1
O4  O  0.595  0.25  0.5309  4.658  1
O5  O  0.8478  0.0398  0.8683  1.973  1
O6  O  0.5171  0.0476  0.2496  2.131  1
O7  O  1.0192  0.1263  0.415  1.973  1
O8  O  0.8366  0.0517  0.3491  1.658  1
O9  O  0.5819  0.25  0.9499  1.579  1
O10  O  0.8035  -0.0865  0.4885  1.973  1
O11  O  0.5074  0.0738  0.9002  1.973  1
Si1  Si  0.5937  0.1296  0.5196  1.95  1
Si2  Si  0.9629  0.035  0.3547  2.092  1
Si3  Si  0.578  0.1325  0.9829  2.139  1
Si4  Si  0.4664  -0.0022  0.6418  2.289  1
Be5  Be  0.7509  0.0055  0.4266  0  1
H2O2  O2-(H2O)  0.756  0.2  0.724  3.947  0.25
H2O3  O2-(H2O)  0.41  0.25  0.343  3.947  0.46
K1  K  0.5508  0.25  0.7506  7.027  0.91
K2  K  0.7618  -0.0053  0.6744  10.02  1
K3  K  0.3379  0.25  0.5601  14.6  1
N  N  0.758  0.202  0.27  3.95  0.42
C1  C  0.81  0.25  0.346  3.95  0.15
C2  C  0.838  0.25  0.219  3.95  0.41
C3  C  0.66  0.25  0.263  3.95  0.36
C4  C  0.836  0.205  0.084  3.95  0.33
C5  C  0.8382  0.25  0.4641  3.95  1
C6  C  0.5514  0.25  0.2584  3.95  1

# End of data for LSJ-10