#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/29/7222908.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_7222908
loop_
_publ_author_name
'Kalsbach, W.'
_publ_section_title
;
 Strukturelle Phasenuebergaenge und druckinduzierte Supraleitung von
 Molybdaen-Clusterverbindungen (Chevrel-Phasen)
;
_journal_name_full               'Berichte der Kernforschungsanlage Juelich'
_journal_page_first              1
_journal_page_last               80
_journal_volume                  1984
_journal_year                    1984
_chemical_formula_sum            'Mo6 S8 Sr'
_chemical_name_systematic        'Mo6 Sr S8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.204
_cell_length_b                   9.204
_cell_length_c                   11.539
_cell_volume                     846.549
_citation_journal_id_ASTM        BKEJAS
_cod_data_source_file            Kalsbach_BKEJAS_1984_725.cif
_cod_data_source_block           Mo6S8Sr1
_cod_original_cell_volume        846.5489
_cod_original_formula_sum        'Mo6 S8 Sr1'
_cod_database_code               7222908
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
S1 S 0 0 0.247 1 0.0
Mo1 Mo 0.8257 0.8403 0.4033 1 0.0
S2 S 0.9663 0.6767 0.4177 1 0.0
Sr1 Sr 0 0 0 1 0.0
