#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/12/7221207.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_7221207
loop_
_publ_author_name
'Doerrscheidt, W.'
'Niess, N.'
'Schaefer, H.'
_publ_section_title
;
 Darstellung und Kristallstruktur von Ca Cu Ge
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              985
_journal_page_last               988
_journal_volume                  32
_journal_year                    1977
_chemical_formula_sum            'Ca Cu Ge'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   21.36
_cell_length_b                   7.54
_cell_length_c                   4.35
_cell_volume                     700.587
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Doerrscheidt_ZENBAX_1977_162.cif
_cod_data_source_block           Ca1Cu1Ge1
_cod_original_cell_volume        700.5867
_cod_original_formula_sum        'Ca1 Cu1 Ge1'
_cod_database_code               7221207
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+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
Ca3 Ca 0.1672 0.2949 0.737 1 0.0
Ge1 Ge 0.2297 0.919 0.75 1 0.0
Ge3 Ge 0.1018 0.9148 0.746 1 0.0
Cu1 Cu 0.0967 0.0843 0.253 1 0.0
Ca2 Ca 0.1663 0.7065 0.234 1 0.0
Cu2 Cu 0.2356 0.0879 0.245 1 0.0
Ca1 Ca 0.9985 0.215 0.73 1 0.0
Cu3 Cu 0.0629 0.579 0.747 1 0.0
Ge2 Ge 0.0703 0.408 0.248 1 0.0
