#*********************************************************************************
#
# Crystallographic Information File for Bellbergite
#
# Reference :
# Rüdinger, B., Tillmanns, E. and Hentschel, G.
# Miner. Petrol., 48, 147-152, (1993)
#
#
# 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_Bellbergite
_chemical_name_systematic 'Bellbergite'

_cell_length_a 13.244
_cell_length_b 13.244
_cell_length_c 15.988
_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
K1 K 0.105 0.21 0.25 5 0.3333
Ca1 Ca 0 0 0 0.5 1
Ca2 Ca 0.33333 0.66667 0.13 6.9 1
Sr1 Sr 0.33333 0.66667 0.9119 2.4 0.5
Si1 Si 0.4215 0.3313 0.1538 1.09 0.5125
Si2 Si 0.2476 0 0 0.36 0.5125
Al1 Al 0.4215 0.3313 0.1538 1.09 0.4875
Al2 Al 0.2476 0 0 0.36 0.4875
O1 O 0.1127 0.225 0.003 0.5 1
O2 O 0.6818 0 0.9158 1.2 1
O3 O 0.958 0.327 0.25 2.1 1
O4 O 0.2295 0.459 0.864 1.6 1
O5 O 0.459 0.918 0.862 1.8 1
H2O1 O2-(H2O) 0.33333 0.66667 0.75 5 1
H2O2 O2-(H2O) 0.413 0.826 0.25 3.5 1
H2O3 O2-(H2O) 0.587 0.174 0.965 3 0.5
H2O4 O2-(H2O) 0.218 0.436 0.159 3.6 1
H2O5 O2-(H2O) 0 0 0.643 1.4 1
# End of data for Bellbergite