#*********************************************************************************
#
# Crystallographic Information File for Mazzite 
#
# Reference : 
#   Galli, E.
#   Rend. Soc. Ital. Mineral. Petrol., 31, 599-612, (1975)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_Mazzite
_chemical_name_systematic 'Mazzite'

_cell_length_a      18.392
_cell_length_b      18.392
_cell_length_c      7.646 
_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 m c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c 2c'
_space_group.IT_number  194 

 
 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  0.5  0  0  4.61  0.05
K1  K  0.5  0  0  4.61  0.42
MG1  Mg  0.3333  0.6667  -0.25  2.71  1
CA1  Ca  0.5  0  0  4.61  0.03
CA2  Ca  0  0  0.072  23.2  0.22
SI1  Si  0.1584  0.4902  0.25  1.05  0.73
SI2  Si  0.3536  0.0933  0.0444  1.05  0.73
AL1  Al  0.1584  0.4902  0.25  1.05  0.27
AL2  Al  0.3536  0.0933  0.0444  1.05  0.27
O1  O  0.2589  0.5178  0.25  2.38  1
O2  O  0.4249  0.8498  0.25  1.9  1
O3  O  0.3822  0.1004  0.25  2.14  1
O4  O  0.4352  0.1114  -0.0721  2.27  1
O5  O  0.1614  0.3228  -0.0016  1.96  1
O6  O  0.2741  0  0  2.37  1
H2O1  O2-(H2O)  0.467  0.934  0.661  6.4  0.5
H2O2  O2-(H2O)  0.3333  0.6667  0.016  4.3  1
H2O3  O2-(H2O)  0.271  0.542  -0.25  5.4  0.44
H2O4  O2-(H2O)  0.566  0.355  0.25  6.9  0.44
H2O5  O2-(H2O)  0.028  0.148  0.03  7.7  0.23
H2O6  O2-(H2O)  0.088  0.176  0.25  21.8  0.89
H2O7  O2-(H2O)  0.076  0.152  -0.25  31.2  0.45

# End of data for Mazzite