#*********************************************************************************
#
# Crystallographic Information File for Faujasite
#
# Reference :
# Baur, W.H.
# Am. Mineral., 49, 697-704, (1964)
#
#
# 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_Faujasite
_chemical_name_systematic 'Faujasite'

_cell_length_a 24.74
_cell_length_b 24.74
_cell_length_c 24.74
_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 -3 m'
_symmetry_space_group_name_H-M 'F d -3 m'
_symmetry_space_group_name_Hall '-F 4vw 2vw 3'
_space_group.IT_number 227
_space_group.IT_coordinate_system_code '2'

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 0.0699 0.0699 0.0699 2.6 0.162
CA1 Ca 0.0699 0.0699 0.0699 2.6 0.078
SI1 Si 0.12544 0.94655 0.03626 1.2 0.7
AL1 Al 0.12544 0.94655 0.03626 1.2 0.3
O1 O 0.1742 0.1742 0.968 2.8 1
O2 O 0.1773 0.1773 0.3232 2.5 1
O3 O 0.2527 0.2527 0.1435 2.5 1
O4 O 0.1053 0.8947 0 2.8 1
H2O1 O2-(H2O) 0.1673 0.1673 0.1673 3.2 0.42
H2O2 O2-(H2O) 0.272 0.272 0.272 3.9 0.42
# End of data for Faujasite