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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/11/7221168.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_7221168
loop_
_publ_author_name
'Otto, H.H.'
'Schulz, H.'
'Thiemann, K.H.'
'Yersin, H.'
'Gliemann, G.'
_publ_section_title
;
 Crystal structure of Cs2 (Pt (C N)4) (H2 O)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              127
_journal_page_last               130
_journal_volume                  32
_journal_year                    1977
_chemical_formula_sum            'C4 H2 Cs2 N4 O Pt'
_chemical_name_systematic        'Cs2 (Pt (C N)4) (H2 O)'
_space_group_IT_number           169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.687
_cell_length_b                   9.687
_cell_length_c                   19.336
_cell_volume                     1571.361
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Otto_ZENBAX_1977_1368.cif
_cod_data_source_block           C4H2Cs2N4O1Pt1
_cod_original_formula_sum        'C4 H2 Cs2 N4 O1 Pt1'
_cod_database_code               7221168
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/6
-y,x-y,z+1/3
-x,-y,z+1/2
-x+y,-x,z+2/3
y,-x+y,z+5/6
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
C1 C+2 0.012 0.054 0.501 1 0.0
C2 C+2 0.098 0.397 0.007 1 0.0
O1 O-2 0.296 0.624 0.493 1 0.0
C3 C+2 0.249 0.236 0.027 1 0.0
Pt1 Pt+2 0.0364 0.1667 0 1 0.0
Cs1 Cs+1 0.0801 0.4223 0.374 1 0.0
Cs2 Cs+1 0.0834 0.4376 0.627 1 0.0
N4 N-3 0.636 0.679 0.127 1 0.0
N1 N-3 0.058 0.198 0.5 1 0.0
C4 C+2 0.719 0.812 0.142 1 0.0
N2 N-3 0.144 0.532 -0.001 1 0.0
N3 N-3 0.39 0.289 0.034 1 0.0
