#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/98/1539877.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_1539877
loop_
_publ_author_name
'Czybulka, A.'
'Pinger, B.'
'Schuster, H.U.'
_publ_section_title
;
 Neue Erdalkali-Gallium-Silicide, -Germanide und -Stannide mit vom Al
 B2-Typ abgeleiteten Strukturen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              151
_journal_page_last               157
_journal_volume                  579
_journal_year                    1989
_chemical_formula_sum            'Ca Ga Ge'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   4.225
_cell_length_b                   4.225
_cell_length_c                   17.315
_cell_volume                     267.674
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Czybulka_ZAACAB_1989_1269.cif
_cod_data_source_block           Ca1Ga1Ge1
_cod_original_cell_volume        267.6742
_cod_original_formula_sum        'Ca1 Ga1 Ge1'
_cod_database_code               1539877
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+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-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-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Ca2 Ca 0 0 0.25 1 0.0
Ga1 Ga 0.3333 0.6667 0.1467 1 0.0
Ge1 Ge 0.3333 0.6667 0.6145 1 0.0
Ca1 Ca 0 0 0 1 0.0
