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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/2/10/63/2106396.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106396
loop_
_publ_author_name
'Messain, D.'
'Carre, D.'
'Laruelle, P.'
_publ_section_title
;
 Structure cristalline du sulfure de samarium et d'indium Sm3 In S6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2540
_journal_page_last               2542
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'In S6 Sm3'
_chemical_name_systematic        'In Sm3 S6'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.513
_cell_length_b                   13.632
_cell_length_c                   3.901
_cell_volume                     878.135
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Messain_ACBCAR_1977_589.cif
_cod_data_source_block           In1S6Sm3
_cod_original_cell_volume        878.1355
_cod_original_formula_sum        'In1 S6 Sm3'
_cod_database_code               2106396
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
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
S1 S-2 0.416 0.0951 0 1 0.0
S4 S-2 0.1136 0.3869 0 1 0.0
S2 S-2 0.2868 0.3184 0 1 0.0
In1 In+3 0 0 0.5 1 0.0
Sm2 Sm+3 0.39386 0.24795 0.5 1 0.0
In2 In+3 0.5 0 0.5 1 0.0
S3 S-2 0.2475 0.1107 0.5 1 0.0
Sm3 Sm+3 0.14605 0.18809 0 1 0.0
S5 S-2 0.0196 0.1904 0.5 1 0.0
Sm1 Sm+3 0.22236 0.45925 0.5 1 0.0
S6 S-2 0.396 0.4785 0.5 1 0.0
