#------------------------------------------------------------------------------
#$Date: 2015-07-13 07:51:43 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150179 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/13/7221394.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_7221394
loop_
_publ_author_name
'Widera, A.'
'Schaefer, H.'
_publ_section_title
;
 Darstellung und Kristallstruktur von Ba10 Al3 Ge7
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              619
_journal_page_last               624
_journal_volume                  32
_journal_year                    1977
_chemical_formula_sum            'Al3 Ba10 Ge7'
_chemical_name_systematic        'Ba10 Al3 Ge7'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.749
_cell_length_b                   9.749
_cell_length_c                   16.47
_cell_volume                     1355.640
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Widera_ZENBAX_1977_565.cif
_cod_data_source_block           Al3Ba10Ge7
_cod_original_cell_volume        1355.64
_cod_database_code               7221394
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,x-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
Ba1 Ba 0.3333 0.6667 0.25 1 0.0
Ba2 Ba 0.3333 0.6667 0 1 0.0
Ge2 Ge 0 0 0.25 1 0.0
Ba3 Ba 0.2522 0 0.4018 1 0.0
Ge1 Ge 0.3955 0 0.8832 1 0.0
Al1 Al 0 0.727 0.25 1 0.0
