#*********************************************************************************
#
# Crystallographic Information File for Partheite 
#
# Reference : 
#   Engel, N. and Yvon, K.
#   Z. Kristallogr., 169, 165-175, (1984)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_Partheite
_chemical_name_systematic 'Partheite'

_cell_length_a      21.555
_cell_length_b      8.761
_cell_length_c      9.304 
_cell_angle_alpha   90 
_cell_angle_beta    91.55 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_space_group.IT_number  15 

 
 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  0.35586  0.1991  0.0444  0.93  1
SI1  Si  0.06729  0.1832  0.2896  0.53  1
SI2  Si  0.23983  0.0077  0.4621  0.46  1
AL1  Al  0.1161  0.0844  0.6006  0.56  1
AL2  Al  0.1999  0.3162  0.2858  0.51  1
O1  O  0.0695  0.0181  0.2162  0.73  1
O2  O  0.0725  0.1719  0.4626  0.84  1
O3  O  0.1222  0.2883  0.2295  0.89  1
O4  O  0.1722  0.0363  0.025  0.86  1
O5  O  0.2081  0.4669  0.4096  0.71  1
O6  O  0.2345  0.155  0.3605  0.84  1
O7  O  0.234  0.3599  0.1221  0.76  1
O8  O  0  0.2632  0.25  0.63  1
OH  O1-(OH)  0.3523  0.2673  0.2918  1.11  1
H2O1  O2-(H2O)  0.0712  0.505  0.0159  2.62  1
H2O2  O2-(H2O)  0.4541  0.307  0.08  1.72  1

# End of data for Partheite