#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/71/2107169.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_2107169
loop_
_publ_author_name
'Mark, W.'
'Lindqvist, O.'
'Jumas, J.C.'
'Philippot, E.'
_publ_section_title
;
 The OD structure of Na2 Sn S3. Determination and refinement of an MDO
 structure
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2620
_journal_page_last               2628
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Na35 S6 Sn2'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.64
_cell_length_b                   6.64
_cell_length_c                   39.75
_cell_volume                     1517.763
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Mark_ACBCAR_1974_807.cif
_cod_data_source_block           Na35S6Sn2
_cod_database_code               2107169
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z
x,x-y,-z
-x+y,y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z
-x,-x+y,z
x-y,-y,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
Na5 Na 0.0081 -0.0081 0.25 1 0.0
Na2 Na 0.6667 0 0.08333 1 0.0
Na4 Na 0.3333 0.6667 0.25 1 0.0
S1 S 0.3641 0 0.03662 1 0.0
Na1 Na 0 0 0 1 0.0
Na3 Na 0.32523 0.31713 0.08333 1 0.0
Sn1 Sn 0.3333 0.6667 0 1 0.0
