#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/62/1536273.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_1536273
loop_
_publ_author_name
'Jorgensen, J.D.'
'Hinks, D.G.'
'Rotella, F.J.'
_publ_section_title
;
 Ternary superconductors
;
_journal_name_full               'Structure Reports'
_journal_page_first              66
_journal_page_last               67
_journal_volume                  48
_journal_year                    1981
_chemical_formula_sum            'Fe0.4 Mo6 S8 Sn'
_chemical_name_systematic        'Fe0.4 Mo6 Sn S8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.2256
_cell_length_b                   9.2256
_cell_length_c                   11.3418
_cell_volume                     835.991
_citation_journal_id_ASTM        SRPORB
_cod_data_source_file            Jorgensen_SRPORB_1981_1690.cif
_cod_data_source_block           Fe0.4Mo6S8Sn1
_cod_original_cell_volume        835.9915
_cod_original_formula_sum        'Fe0.4 Mo6 S8 Sn1'
_cod_database_code               1536273
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
-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
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
-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
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
S2 S 0 0 0.2395 1 0.0
Mo1 Mo 0.0159 0.1739 0.402 1 0.0
Fe1 Fe 0.205 0.045 0.112 0.067 0.0
S1 S 0.328 0.2907 0.4144 1 0.0
Sn1 Sn 0 0 0 1 0.0
