#*********************************************************************************
#
# Crystallographic Information File for Losod
#
# Reference :
# Schicker, P.
# Ph.D. Thesis, ETH, Zurich, Switzerland, , , (1988)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_Losod
_chemical_name_systematic 'Losod'

_cell_length_a 12.906
_cell_length_b 12.906
_cell_length_c 10.541
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 63 m c'
_symmetry_space_group_name_H-M 'P 63 m c'
_symmetry_space_group_name_Hall 'P 6c -2c'
_space_group.IT_number 186

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
NA1 Na 0.897 0.449 -0.018 11.2 0.98
NA2 Na 0.846 0.1539 -0.24 5.5 0.73
NA3 Na 0 0 -0.45 0 0.52
NA4 Na 0.6667 0.3333 -0.66 1.5 0.6
SI1 Si 0.25 -0.002 0 1.5 0.5
AL1 Al 0.25 -0.002 0 1.5 0.5
SI2 Si 0.414 0.084 0.248 1.9 0.5
AL2 Al 0.414 0.084 0.248 1.9 0.5
O1 O 0.22 0.11 -0.006 4.4 1
O2 O 0.358 0.025 0.102 2.1 1
O3 O 0.4581 0.229 0.257 5.8 1
O4 O 0.529 0.058 0.267 4.1 1
O5 O 0.125 -0.125 0.035 14.3 1
O6 O 0.312 0.007 0.354 3.5 1
H2O1 O2-(H2O) 0.749 0.251 -0.22 12.9 0.87
H2O2 O2-(H2O) 0.774 0.387 -0.442 13.7 0.88
H2O3 O2-(H2O) 0 0 -0.61 0.5 0.53
H2O4 O2-(H2O) 0 0 -0.24 0 0.52
H2O5 O2-(H2O) 0.6667 0.3333 0.06 11.5 0.86
# End of data for Losod