#*********************************************************************************
#
# Crystallographic Information File for Rho, hydrated
#
# Reference :
# McCusker, L.B. and Baerlocher, Ch.
# Proc. 6th Int. Zeolite Conf., , pp. 812-822, (1984)
#
#
# 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_Rho_hydrated
_chemical_name_systematic 'Rho, hydrated'

_cell_length_a 15.031
_cell_length_b 15.031
_cell_length_c 15.031
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'I m -3 m'
_symmetry_space_group_name_H-M 'I m -3 m'
_symmetry_space_group_name_Hall '-I 4 2 3'
_space_group.IT_number 229

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 0.2768 0.2768 0.2768 6.3 0.18
CS1 Cs 0 0 0.3554 0.3 0.26
SI1 Si 0.25 0.1042 0.3958 3.2 0.749
AL1 Al 0.25 0.1042 0.3958 3.2 0.251
O1 O 0.2107 0 0.3834 5.6 1
O2 O 0.1652 0.1652 0.3654 5.6 1
H2O1 O2-(H2O) 0.0749 0.2096 0.2096 5.5 0.204
H2O2 O2-(H2O) 0.0542 0.0542 0.2756 15 0.504
H2O3 O2-(H2O) 0.0636 0.118 0.1735 15 0.305
H2O4 O2-(H2O) 0 0 0.4295 15 0.717
H2O5 O2-(H2O) 0 0 0 15 0.7
# End of data for Rho_hydrated