#*********************************************************************************
#
# Crystallographic Information File for Na-P1
#
# Reference :
# Baerlocher, Ch. and Meier, W.M.
# Z. Kristallogr., 135, 339-354, (1972)
#
#
# 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_Na-P1
_chemical_name_systematic 'Na-P1'

_cell_length_a 10.043
_cell_length_b 10.043
_cell_length_c 10.043
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'I -4'
_symmetry_space_group_name_H-M 'I -4'
_symmetry_space_group_name_Hall 'I -4'
_space_group.IT_number 82

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
NA4 Na 0.014 0.1895 0.494 4.4 0.32
NA5 Na 0.359 0.0825 0.221 4 0.42
SI1 Si 0.1438 0.1692 -0.0181 1.1 0.62
SI2 Si 0.1683 0.3579 0.2329 0.9 0.62
AL1 Al 0.1438 0.1692 -0.0181 1.1 0.38
AL2 Al 0.1683 0.3579 0.2329 0.9 0.38
O1 O 0.189 0.0215 0.041 0.5 1
O2 O 0.1885 0.2895 0.088 1.3 1
O3 O 0.009 0.346 0.2985 2.5 1
O4 O 0.283 0.2845 0.33 2.8 1
H2O1 O2-(H2O) 0 0 0.325 5.9 0.42
H2O2 O2-(H2O) 0.2195 0.024 0.3515 2.6 0.7
H2O3 O2-(H2O) 0.293 0.002 0.352 4 0.5
# End of data for Na-P1