data_Polluc
_audit_creation_method	'Created with Diamond v2.0'
_audit_creation_date	09-03-09
_audit_update_record	09-03-09
_chemical_formula_sum
;
Cs10.367 O101.633 Na1.478 Si48 Al-984 H192
;
_chemical_formula_weight	-21970.277
_cell_length_a	13.6808(6)
_cell_length_b	13.6808(6)
_cell_length_c	13.6808(6)
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	2560.6(2)
_symmetry_int_tables_number	230
_symmetry_space_group_name_H-M	'I a -3 d'
_symmetry_space_group_name_Hall	'-I_4bd_2c_3'

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
	?	1.200
Na	?	1.180
	?	1.200
O	?	1.200
H	?	1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
CS Cs  0.1250  0.1250  0.1250  0.648 16 b ? d Uani ?
W O  0.1250  0.1250  0.1250  0.352 16 b ? d Uani ?
NA Na  0.2500  0.1250  0.0000  0.07 24 c ? d Uani ?
SI Si  0.1250  0.66226  0.58774  0.72 48 g ? d Uani ?
AL Al  0.1250  0.66226  0.58774 0.28 48 g ? d Uani ?
O O  0.10485  0.13373  0.71973  1.000 96 h ? d Uani ?
H1 H  0.185  0.110  0.117  0.048 96 h ? d Uiso  0.10623
H2 H  0.107  0.061  0.136  0.048 96 h ? d Uiso  0.10623


loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
CS  0.0446  0.0446  0.0446  0.0034  0.0034  0.0034
W  0.0446  0.0446  0.0446  0.0034  0.0034  0.0034
NA  0.033  0.0450  0.033  0.00000 -0.0140  0.00000
SI  0.0126  0.0140  0.0140  0.0020  0.0020 -0.0011
AL  0.0126 0.0140  0.0140  0.0020  0.0020 -0.0011
O  0.0471  0.0434  0.0200  0.0103  0.0102  0.0037
