#*********************************************************************************
#
# Crystallographic Information File for Bicchulite
#
# Reference :
# Sahl, K. and Chatterjee, N.D.
# Z. Kristallogr., 146, 35-41, (1977)
#
#
# 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_Bicchulite
_chemical_name_systematic 'Bicchulite'

_cell_length_a 8.825
_cell_length_b 8.825
_cell_length_c 8.825
_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 3 m'
_symmetry_space_group_name_H-M 'I -4 3 m'
_symmetry_space_group_name_Hall 'I -4 2 3'
_space_group.IT_number 217

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
CA Ca 0.1434 0.1434 0.1434 0.75 1
SI Si 0.25 0.5 0 0.49 0.3333
AL Al 0.25 0.5 0 0.49 0.6667
O O 0.1407 0.1407 0.422 0.94 1
OH O1-(OH) 0.3845 0.3845 0.3845 0.93 1
H H 0.328 0.328 0.328 1 1
# End of data for Bicchulite