#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/63/2106313.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_2106313
loop_
_publ_author_name
'Franzen, H.F.'
'Smeggil, J.G.'
_publ_section_title
;
 The crystal structure of Ta6 S
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              125
_journal_page_last               129
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'S Ta6'
_chemical_name_systematic        'Ta6 S'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.01
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.1576
_cell_length_b                   5.2835
_cell_length_c                   14.7885
_cell_volume                     976.630
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Franzen_ACBCAR_1970_1798.cif
_cod_data_source_block           S1Ta6
_cod_original_cell_volume        976.6301
_cod_original_formula_sum        'S1 Ta6'
_cod_database_code               2106313
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
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
Ta4 Ta 0.0358 0.146 0.174 1 0.0
Ta3 Ta 0.4364 0.1628 0.4051 1 0.0
Ta6 Ta 0.1063 0.6798 0.3173 1 0.0
Ta1 Ta 0.248 0.4067 0.2518 1 0.0
Ta2 Ta 0.3401 0.6568 0.4547 1 0.0
S1 S 0.392 0.9189 0.0437 1 0.0
Ta5 Ta 0.2111 0.1475 0.3969 1 0.0
