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#$Date: 2015-10-10 07:27:31 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164944 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/70/1537006.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_1537006
loop_
_publ_author_name
'Reiner, C.'
'Deiseroth, H.J.'
'Schlosser, M.'
'Kienle, L.'
_publ_section_title
;
 Die neuen gemischtvalenten Chalkogenoindate M In7 X9 (M = Rb, Cs; X = S,
 Se): Strukturchemie, Roentgen- und HRTEM-Untersuchungen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              249
_journal_page_last               257
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'In7 Rb S9'
_chemical_name_systematic        'Rb (In7 S9)'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   25.02
_cell_length_b                   3.905
_cell_length_c                   8.919
_cell_volume                     871.414
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Reiner_ZAACAB_2002_350.cif
_cod_data_source_block           In7Rb1S9
_cod_original_cell_volume        871.4139
_cod_chemical_formula_sum_orig   'In7 Rb1 S9'
_cod_database_code               1537006
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
x,-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
Rb2 Rb+1 0.3174 0.75 -0.3487 0.122 0.0
In2 In+3 0.53466 0.75 0.33738 1 0.0
S2 S-2 0.44083 0.75 0.4732 1 0.0
S5 S-2 0.3724 0.25 -0.2022 1 0.0
S1 S-2 0.25 0.75 -0.0055 1 0.0
In3 In+2 0.38014 0.75 0.25185 1 0.0
S3 S-2 0.50345 0.25 0.1669 1 0.0
Rb1 Rb+1 0.25 0.75 -0.3683 0.764 0.0
S4 S-2 0.32309 0.25 0.3433 1 0.0
In1 In+3 0.25 0.25 0.1536 1 0.0
In4 In+2 0.59501 0.25 0.04629 1 0.0