#*********************************************************************************
#
# Crystallographic Information File for Beryllophosphate-H 
#
# Reference : 
#   Harvey, G., Baerlocher, Ch. and Wroblewski, T.
#   Z. Kristallogr., 201, 113-123, (1992)
#
#
# 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_Beryllophosphate-H
_chemical_name_systematic 'Beryllophosphate-H'

_cell_length_a      12.5815
_cell_length_b      12.5815
_cell_length_c      12.4508 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   120
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 3 2 1'
_symmetry_space_group_name_H-M   'P 3 2 1'
_symmetry_space_group_name_Hall  'P 3 2"'
_space_group.IT_number  150 

 
 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  0.3333  0.6667  0.502  1.02  1
NA2  Na  0.184  0.164  0.317  14.28  1.06
K1  K  0.626  0  0.5  1.02  1
K2  K  0.523  0  0  13.59  0.83
BE1  Be  0.6667  0.3333  0.1311  0.09  1
BE2  Be  0.3576  0.4981  0.2681  3.09  1
BE3  Be  0.6996  0.5607  0.3819  0.33  1
P1  P  0.3333  0.6667  0.1199  0.08  1
P2  P  0.4907  0.3534  0.2699  1.74  1
P3  P  0.5609  0.6992  0.3793  1.11  1
O1  O  0.5696  0.3736  0.1701  3.24  1
O2  O  0.3333  0.6667  -0.0013  2.46  1
O3  O  0.4332  0.592  0.3659  0.09  1
O4  O  0.4078  0.4054  0.252  0.09  1
O5  O  0.5869  0.8005  0.2973  3.72  1
O6  O  0.4231  0.7992  0.1584  0.96  1
O7  O  0.4102  0.2168  0.2954  0.09  1
O8  O  0.5842  0.4242  0.3611  1.74  1
O9  O  0.6548  0.6592  0.3646  2.85  1
O10  O  0.5705  0.7509  0.4945  1.65  1
H2O1  O2-(H2O)  0.406  0.282  -0.002  7.41  1.25
H2O2  O2-(H2O)  0.079  -0.07  0.16  18.54  0.83
H2O3  O2-(H2O)  0.045  0.237  -0.116  12  1.06
H2O4  O2-(H2O)  0.044  0.168  0.515  9.09  1.02
H2O5  O2-(H2O)  0.647  0.622  0.129  10.65  0.92

# End of data for Beryllophosphate-H