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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/10/1541022.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_1541022
loop_
_publ_author_name
'Takahashi, I.'
_publ_section_title
;
 Structure of the Incommensurate Phase in Thiourea
;
_journal_issue                   6
_journal_name_full               'Nippon Kessho Gakkaishi'
_journal_page_first              283
_journal_page_last               288
_journal_paper_doi               10.5940/jcrsj.31.6_283
_journal_volume                  31
_journal_year                    1990
_chemical_formula_sum            'C H4 N2 S'
_chemical_name_systematic        '(N H2)2 C S'
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P -2 -2b'
_symmetry_space_group_name_H-M   'P b 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.466
_cell_length_b                   7.547
_cell_length_c                   8.541
_cell_volume                     352.332
_citation_journal_id_ASTM        NKEGAF
_cod_data_source_file            Takahashi_NKEGAF_1990_1355.cif
_cod_data_source_block           C1H4N2S1
_cod_original_cell_volume        352.3325
_cod_original_sg_symbol_Hall     'P 2c -2 (y,z,x)'
_cod_original_formula_sum        'C1 H4 N2 S1'
_cod_database_code               1541022
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
x,y,-z
-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
S1 S-2 0.1149 -0.0065 0.25 0.5 0.0
N1 N-3 -0.2814 0.1289 0.385 1 0.0
C1 C+4 -0.1658 0.0873 0.25 0.5 0.0
