#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/69/1526941.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_1526941
loop_
_publ_author_name
'Wickleder, C.'
'Larsen, P.'
_publ_section_title
;
 Ba Cl S C N und Na4 Mg (S C N)6: zwei neue wasserfreie Thiocyanate der
 Erdalkalimetalle
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1279
_journal_page_last               1282
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C6 Mg N6 Na4 S6'
_chemical_name_systematic        'Na4 Mg (S C N)6'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.638
_cell_length_b                   8.638
_cell_length_c                   13.993
_cell_volume                     904.207
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wickleder_ZAACAB_2001_1997.cif
_cod_data_source_block           C6Mg1N6Na4S6
_cod_original_cell_volume        904.2069
_cod_original_formula_sum        'C6 Mg1 N6 Na4 S6'
_cod_database_code               1526941
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z+1/2
x,x-y,-z+1/2
-x+y,y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z-1/2
-x,-x+y,z-1/2
x-y,-y,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
C1 C+4 0.3406 0.3414 0.1363 1 0.0
Na1 Na+1 0 0 0 1 0.0
N1 N-3 0.4679 0.337 0.1578 1 0.0
Mg1 Mg+2 0.6667 0.3333 0.25 1 0.0
Na2 Na+1 0.3333 0.6667 0.25 1 0.0
S1 S-2 0.1616 0.3516 0.1078 1 0.0
Na3 Na+1 0.6667 0.3333 0.0227 1 0.0
