#*********************************************************************************
#
# Crystallographic Information File for Natrolite
#
# Reference :
# Meier, W.M.
# Z. Kristallogr., 113, 430-444, (1960)
#
#
# 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_Natrolite
_chemical_name_systematic 'Natrolite'

_cell_length_a 18.3
_cell_length_b 18.63
_cell_length_c 6.6
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'F d d 2'
_symmetry_space_group_name_H-M 'F d d 2'
_symmetry_space_group_name_Hall 'F 2 -2d'
_space_group.IT_number 43

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 0.2208 0.0305 0.612 2 1
SI1 Si 0 0 0 1.07 1
SI2 Si 0.1532 0.2112 0.6181 1 1
AL1 Al 0.0376 0.0936 0.6119 1.12 1
O1 O 0.0227 0.0683 0.8594 1.81 1
O2 O 0.0704 0.1824 0.6011 1.1 1
O3 O 0.0986 0.0346 0.4997 1.55 1
O4 O 0.2063 0.1526 0.7166 1.24 1
O5 O 0.1799 0.2272 0.386 1.83 1
H2O1 O2-(H2O) 0.0564 0.1893 0.1085 2.5 1
# End of data for Natrolite