#*********************************************************************************
#
# Crystallographic Information File for Tugtupite
#
# Reference :
# Hassan, I. and Grundy, H.D.
# Can. Mineral., 29, 385-390, (1991)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: http://www.iza-structure.org/databases/
#
#**********************************************************************************
data_Tugtupite
_chemical_name_systematic 'Tugtupite'

_cell_length_a 8.64
_cell_length_b 8.64
_cell_length_c 8.873
_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'
_symmetry_space_group_name_H-M 'I -4'
_symmetry_space_group_name_Hall 'I -4'
_space_group.IT_number 82

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 0.1563 0.1972 0.1818 1.48 1
CL1 Cl 0 0 0 1.85 1
SI1 Si 0.0127 0.2533 0.4958 0.58 1
AL1 Al 0 0.5 0.75 0.6 1
BE1 Be 0 0.5 0.25 0.77 1
O1 O 0.1504 0.1343 0.4417 0.97 1
O2 O 0.3472 0.0385 0.6488 0.94 1
O3 O 0.4256 0.1486 0.1377 0.95 1
# End of data for Tugtupite