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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/76/1527643.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_1527643
loop_
_publ_author_name
'Klein Haneveld, A.J.'
'Jellinek, F.'
_publ_section_title
;
 Zirconium silicide and germanide chalcogenides preparation and crystal
 structures
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              776
_journal_page_last               783
_journal_volume                  83
_journal_year                    1964
_chemical_formula_sum            'Ge S Zr'
_chemical_name_systematic        'Zr Ge S'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.626
_cell_length_b                   3.626
_cell_length_c                   8.019
_cell_volume                     105.433
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            KleinHaneveld_RTCPA3_1964_1541.cif
_cod_data_source_block           Ge1S1Zr1
_cod_original_cell_volume        105.4328
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_chemical_formula_sum_orig   'Ge1 S1 Zr1'
_cod_database_code               1527643
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+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
Zr1 Zr 0 0.5 0.276 1 0.0
S1 S 0 0.5 0.622 1 0.0
Ge1 Ge 0 0 0 1 0.0