#------------------------------------------------------------------------------
#$Date: 2015-09-09 23:24:54 +0200 (Wed 09 de Sep de 2015) $
#$Revision: 155811 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530672.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_1530672
loop_
_publ_author_name
'Saeki, M.'
'Onoda, M.'
_publ_section_title
;
 Preparation of 3s-type Mo.5 Ta.5 S2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              1
_journal_page_last               3
_journal_volume                  135
_journal_year                    1987
_chemical_formula_sum            'Mo0.5 S2 Ta0.5'
_chemical_name_systematic        'Mo.5 Ta.5 S2'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.246
_cell_length_b                   3.246
_cell_length_c                   18.077
_cell_volume                     164.951
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Saeki_JCOMAH_1987_1464.cif
_cod_data_source_block           Mo0.5S2Ta0.5
_cod_original_cell_volume        164.9507
_cod_database_code               1530672
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+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
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+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
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+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
Ta1 Ta+4 0 0 0.167 0.5 0.0
Mo1 Mo+4 0 0 0.167 0.5 0.0
S1 S-2 0 0 0.416 1 0.0
S2 S-2 0 0 0.584 1 0.0
