#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/93/1539302.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_1539302
loop_
_publ_author_name
'Weiss, J.'
_publ_section_title
;
 Roentgenographische Untersuchungen an Mischkristallen der Zusammensetzung
 Sen S8-n
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              113
_journal_page_last               118
_journal_volume                  435
_journal_year                    1977
_chemical_formula_sum            'S5.104 Se2.896'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.578
_cell_length_b                   13.386
_cell_length_c                   9.368
_cell_volume                     888.619
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weiss_ZAACAB_1977_1730.cif
_cod_data_source_block           S5.104Se2.896
_cod_original_cell_volume        888.6187
_cod_database_code               1539302
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
S6 S 0.319 0.8953 0.3547 0.638 0.0
S4 S 0.582 0.6791 0.3858 0.638 0.0
S2 S 0.7519 0.4442 0.5469 0.638 0.0
S7 S 0.1506 0.135 0.3316 0.638 0.0
Se2 Se 0.7519 0.4442 0.5469 0.362 0.0
Se6 Se 0.319 0.8953 0.3547 0.362 0.0
Se4 Se 0.582 0.6791 0.3858 0.362 0.0
Se1 Se 0.6587 0.3394 0.3269 0.362 0.0
S3 S 0.8167 0.5835 0.4723 0.638 0.0
S5 S 0.0821 0.7948 0.1939 0.638 0.0
Se5 Se 0.0821 0.7948 0.1939 0.362 0.0
S8 S 0.2465 0.0363 0.2105 0.638 0.0
Se7 Se 0.1506 0.135 0.3316 0.362 0.0
Se3 Se 0.8167 0.5835 0.4723 0.362 0.0
S1 S 0.6587 0.3394 0.3269 0.638 0.0
Se8 Se 0.2465 0.0363 0.2105 0.362 0.0
