#*********************************************************************************
#
# Crystallographic Information File for Tiptopite 
#
# Reference :
#   Peacor, D.R., Rouse, R.C. and Ahn, J.-H.
#   Am. Mineral., 72, 816-820, (1987)
#
# 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_Tiptopite
_chemical_name_systematic 'Tiptopite'

_cell_length_a      11.655
_cell_length_b      11.655
_cell_length_c      4.692 
_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'
_symmetry_space_group_name_H-M   'P 63'
_symmetry_space_group_name_Hall  'P 6c'
_space_group.IT_number  173 

 
 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
LI  Li  0.2207  0.1137  0.7486  2.32  0.483
NA  Na  0.2207  0.1137  0.7486  2.32  0.283
K  K  0.3333  0.6667  0.253  2.04  1
CA  Ca  0.2207  0.1137  0.7486  2.32  0.1167
BE  Be  0.338  0.418  0.746  0.63  1
P1  P  0.0851  0.4167  0.75  0.5  1
O1  O  0.1902  0.3843  0.6518  0.97  1
O2  O  0.1378  0.5647  0.7027  0.75  1
O3  O  0.0547  0.3801  0.0688  0.95  1
O4  O  0.3302  0.3747  0.0862  0.65  1
O5  O  0  0  0.253  2.67  1
O6  O  0.064  0.13  0.378  1.58  0.25
O7  O  0.066  0.13  0.097  1.58  0.25
O8  O  0.168  0.322  0.236  1.58  0.17

# End of data for Tiptopite