#*********************************************************************************
#
# Crystallographic Information File for Liottite
#
# Reference :
# Ballirano, P., Merlino, S. and Bonaccorsi, E.
# Can. Mineral., 34, 1021-1030, (1996)
#
#
# 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_Liottite
_chemical_name_systematic 'Liottite'

_cell_length_a 12.87
_cell_length_b 12.87
_cell_length_c 16.096
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P -6'
_symmetry_space_group_name_H-M 'P -6'
_symmetry_space_group_name_Hall 'P -6'
_space_group.IT_number 174

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
Si1 Si 0.9954 0.7437 0 0.61 1
Al1 Al 0.3339 0.4088 0.833 0.64 1
Si2 Si 0.6718 0.0822 0.6637 0.59 1
Al2 Al 0.3364 0.4097 0.5 0.56 1
Si3 Si 0.5852 0.6661 0.8329 0.61 1
Al3 Al 0.7378 0.7488 0 0.6 1
Si4 Si 0.5873 0.67 0.5 0.57 1
Al4 Al 0.9282 0.3431 0.6635 0.62 1
O1 O 0.8771 0.1258 0 1.97 1
O2 O 0.1025 0.8798 0 1.63 1
O3 O 0.9943 0.6706 0.9182 1.5 1
O4 O 0.6631 0.6698 0.9119 1.6 1
O5 O 0.2179 0.7886 0.8253 1.65 1
O6 O 0.4501 0.5552 0.8386 1.65 1
O7 O 0.3463 0.331 0.7491 1.41 1
O8 O 0.6574 0.656 0.7543 1.52 1
O9 O 0.5464 0.4367 0.6545 1.34 1
O10 O 0.7933 0.2105 0.6632 2.1 1
O11 O 0.6772 0.0062 0.5856 1.41 1
O12 O 0.6659 0.6735 0.5794 1.4 1
O13 O 0.2173 0.7836 0.5 1.56 1
O14 O 0.454 0.5557 0.5 1.17 1
Ca1 Ca 0.3333 0.6667 0.5 1.28 1
Ca2 Ca 0.3333 0.6667 0.833 1.36 1
Ca3 Ca 0 0 0.9783 1.73 0.5
Ca4 Ca 0.6667 0.3333 0.3915 1.51 0.5
Ca5 Ca 0.6667 0.3333 0.3436 2.32 0.5
K1 K 0.8463 0.1651 0.5 1.34 0.572
K11 K 0.857 0.143 0.5 1.34 0.182
K2 K 0.1125 0.8864 0.6651 3.1 0.684
K22 K 0.145 0.851 0.675 3.1 0.074
K3 K 0.8364 0.1722 0.8313 1.96 0.694
K33 K 0.816 0.191 0.847 1.96 0.058
K4 K 0.5543 0.4458 0 2.67 0.822
F1 F 0.7476 0.27 0.5 2.02 0.167
Cl1 Cl 0.3333 0.6667 0 5.78 1
Cl2 Cl 0.6667 0.3333 0.5 12.7 0.5
Cl3 Cl 0.3333 0.6667 0.3335 5.86 1
S1 S 0 0 0.7971 1.36 0.5
S11 S 0.977 0.013 0.7874 2.67 0.167
S2 S 0.0357 0.017 0.5 2.75 0.333
S3 S 0.6667 0.3333 0.8568 3.24 1
O21 O 0 0 0.886 7.94 0.5
O22 O 0.1213 0.0582 0.7676 5.83 0.667
O23 O 0.056 0.094 0.723 9.11 0.167
O24 O 0.119 0.054 0.845 6.82 0.333
O25 O 0.119 0.058 0.426 5.12 0.333
O26 O 0.11 0.051 0.479 10.65 0.333
O27 O 0.6667 0.3333 0.2409 2.76 0.5
O28 O 0.7285 0.4595 0.8789 2.89 0.667
O29 O 0.692 0.298 0.211 7.35 0.167
O30 O 0.728 0.288 0.913 10.11 0.333
# End of data for Liottite