#------------------------------------------------------------------------------
#$Date: 2015-07-10 13:42:06 +0200 (Fri, 10 Jul 2015) $
#$Revision: 142123 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/19/1521906.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1521906
loop_
_publ_author_name
'Schuepp, B.'
'Keller, H.L.'
_publ_section_title
;
 Cs Pd Cl3 - eine Verbindung mit (Pd2 Cl6)-Baugruppen und anorganischem
 Kation
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1944
_journal_page_last               1950
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Cl6 Cs2 Pd2'
_chemical_name_systematic        'Cs2 (Pd2 Cl6)'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.724
_cell_length_b                   10.579
_cell_length_c                   8.499
_cell_volume                     1233.937
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schuepp_ZAACAB_1999_838.cif
_cod_data_source_block           Cl6Cs2Pd2
_cod_original_cell_volume        1233.938
_cod_database_code               1521906
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
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_U_iso_or_equiv
Cl2 Cl-1 0.7879 0.288 0 0.114 0.0
Cl4 Cl-1 0.3946 0.0622 0 0.88 0.0
Cl1 Cl-1 0.7072 0.2179 0 0.886 0.0
Pd2 Pd+2 0.4471 0.1442 0 0.12 0.0
Cs1 Cs+1 0.82462 0 0.25 1 0.0
Cl3 Cl-1 0.4953 0.3459 0 1 0.0
Cl5 Cl-1 0.606 0.061 0 0.12 0.0
Pd1 Pd+2 0.5513 0.14512 0 0.88 0.0
