#*********************************************************************************
#
# Crystallographic Information File for Garronite 
#
# Reference :
#   Artioli, G.
#   Am. Mineral., 77, 189-196, (1992)
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#*****************************************************************************************

data_Garronite
_chemical_name_systematic 'Garronite'

_cell_length_a      9.9266
_cell_length_b      9.9266
_cell_length_c      10.3031 
_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 m 2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_symmetry_space_group_name_Hall  'I -4 -2'
_space_group.IT_number  119 

 
 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  0.281  0.223  6.32  0.1
CA1  Ca  0  0.352  0.094  8.69  0.197
CA2  Ca  0  0.238  0.107  8.69  0.155
SI1  Si  0.1607  0.1607  0.5  3.08  0.65
SI2  Si  0.3421  0.1579  0.25  4.03  0.65
AL1  Al  0.1607  0.1607  0.5  3.08  0.35
AL2  Al  0.3421  0.1579  0.25  4.03  0.35
O11  O  0.1746  0  0.5351  2.68  1
O12  O  0.3078  0  0.2192  2.53  1
O2  O  0.2922  0.2488  0.1244  6.71  1
H2O1  O2-(H2O)  0  0  0.159  9.24  1
H2O21  O2-(H2O)  0.105  0.395  0.25  2.05  0.14
H2O22  O2-(H2O)  0.161  0.433  0.234  2.05  0.24
H2O3  O2-(H2O)  0  0.173  0.981  16.58  0.39

# End of data for Garronite