#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/99/1539901.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_1539901
loop_
_publ_author_name
'Bronger, W.'
'Loevenich, M.'
'Schmitz, D.'
'Schuster, T.'
_publ_section_title
;
 Cs74 Re6 S13 und Cs4 Re6 S13.5 - zwei Verbindungen mit (Re6
 S8)-Baueinheiten in geringfuegig variierten Gerueststrukturen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              91
_journal_page_last               102
_journal_volume                  587
_journal_year                    1990
_chemical_formula_sum            'Cs4 Re6 S13'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.65
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.016
_cell_length_b                   17.214
_cell_length_c                   13.73
_cell_volume                     2326.486
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bronger_ZAACAB_1990_1213.cif
_cod_data_source_block           Cs4Re6S13
_cod_database_code               1539901
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
S4 S-2 0.6667 0.3237 0.3052 1 0.0
Re1 Re+3 0.3469 0.657 0.5236 1 0.0
S1 S-2 0.8481 0.1551 0.3485 1 0.0
S5 S-2 0.513 0.467 0.4373 1 0.0
Cs1 Cs+1 0.7202 0.624 0.4131 1 0.0
Re2 Re+4 0.3596 0.205 0.11 1 0.0
S7 S-2 0 0.6383 0.25 1 0.0
S3 S-2 0.4517 0.2637 0.4479 1 0.0
S6 S-2 0.045 0.3167 0.3261 1 0.0
S2 S-2 0.6269 0.0916 0.4942 1 0.0
Cs2 Cs+1 0.2954 0.9793 0.2158 1 0.0
Re3 Re+4 0.8684 0.2833 0.4211 1 0.0
