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#$Date: 2016-01-09 14:36:48 +0200 (Sat, 09 Jan 2016) $
#$Revision: 174121 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542118.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_1542118
loop_
_publ_author_name
'Garcia-Fernandez, H.'
'Rerat, C.'
_publ_section_title
;
 Heterocycles mineraux. Determination de la structure moleculaire de la
 cyclopentathiotriimine S5 N3 H3, par radiocristallographie.
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              1866
_journal_page_last               1868
_journal_volume                  262
_journal_year                    1966
_chemical_formula_sum            'H3 N3 S5'
_chemical_name_systematic        'S5 (N H)3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.86
_cell_length_b                   12.5
_cell_length_c                   7.05
_cell_volume                     692.663
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Garcia-Fernandez_CHDCAQ_1966_702.cif
_cod_data_source_block           H3N3S5
_cod_original_cell_volume        692.6625
_cod_database_code               1542118
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
N2 N-3 0.23 0.079 0.495 1 0.0
S2 S+1 0.032 0.131 0.669 1 0.0
S1 S+2 0.144 0.127 0.25 1 0.0
S3 S 0.134 0.25 0.809 1 0.0
N1 N-3 0.32 0.25 0.182 1 0.0