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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529546.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_1529546
loop_
_publ_author_name
'Alekseevskii, N.E.'
'Dobrovol'skii, N.M.'
'Kiosse, G.A.'
'Markus, M.M.'
'Malinovskii, T.I.'
'Radautsan, S.I.'
'Samus, D.P.'
_publ_section_title
;
 Structure and properties of Sn Mo6 S8 single crystals
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              87
_journal_page_last               89
_journal_volume                  242
_journal_year                    1978
_chemical_formula_sum            'Mo6 S8 Sn'
_chemical_name_systematic        'Sn (Mo6 S8)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                89.6
_cell_angle_beta                 89.6
_cell_angle_gamma                89.6
_cell_formula_units_Z            1
_cell_length_a                   6.515
_cell_length_b                   6.515
_cell_length_c                   6.515
_cell_volume                     276.511
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Alekseevskii_DANKAS_1978_495.cif
_cod_data_source_block           Mo6S8Sn1
_cod_original_cell_volume        276.5105
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Mo6 S8 Sn1'
_cod_database_code               1529546
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-x,-y,-z
-z,-x,-y
-y,-z,-x
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
Mo1 Mo+2 0.2248 0.5605 0.4152 1 0.0
S1 S-2 0.7429 0.1299 0.3795 1 0.0
Sn1 Sn+4 0 0 0 1 0.0
S2 S-2 0.2424 0.2424 0.2424 1 0.0
