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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/00/1510059.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_1510059
loop_
_publ_author_name
'Hoffmann, R.D.'
'Kussmann, D.'
'Poettgen, R.'
_publ_section_title
;
 Syntheses and crystal structures of Ca Cu Ge, Ca Au In, and Ca Au Sn-
 three different superstructures of the K Hg2 type
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1727
_journal_page_last               1735
_journal_paper_doi
10.1002/(SICI)1521-3749(1998110)624:11<1727::AID-ZAAC1727>3.0.CO;2-0
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Au Ca In'
_chemical_name_systematic        'Ca Au In'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.382
_cell_length_b                   4.594
_cell_length_c                   8.394
_cell_volume                     284.665
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            gold_102.cif
_cod_data_source_block           Au1Ca1In1
_cod_original_cell_volume        284.6649
_cod_original_formula_sum        'Au1 Ca1 In1'
_cod_database_code               1510059
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
In1 In 0.1618 0.25 0.06539 1 0.0
Ca1 Ca 0.0209 0.25 0.6858 1 0.0
Au1 Au 0.27457 0.25 0.38338 1 0.0
