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#$Date: 2013-05-01 15:58:08 +0300 (Wed, 01 May 2013) $
#$Revision: 83178 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/00/1510063.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_1510063
loop_
_publ_author_name
'Kussmann, D.'
'Hoffmann, R.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_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Au Ca Sn'
_chemical_name_systematic        'Ca Au Sn'
_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            20
_cell_length_a                   36.903
_cell_length_b                   4.705
_cell_length_c                   8.136
_cell_volume                     1412.642
_citation_journal_id_ASTM        ZAACAB
_[local]_cod_data_source_file    gold_106.cif
_[local]_cod_data_source_block   Au1Ca1Sn1
_[local]_cod_chemical_formula_sum_orig 'Au1 Ca1 Sn1'
_cod_database_code               1510063
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
Au5 Au 0.44424 0.25 0.0858 1 0.0
Sn3 Sn 0.23983 0.25 0.0883 1 0.0
Sn1 Sn 0.05964 0.25 0.4154 1 0.0
Ca1 Ca -0.0009 0.25 0.7152 1 0.0
Au4 Au 0.3558 0.25 0.0875 1 0.0
Ca4 Ca 0.3007 0.25 0.7917 1 0.0
Au2 Au 0.15979 0.25 0.0871 1 0.0
Au3 Au 0.25841 0.25 0.4153 1 0.0
Ca5 Ca 0.4 0.25 0.7109 1 0.0
Sn5 Sn 0.45908 0.25 0.415 1 0.0
Sn2 Sn 0.14007 0.25 0.416 1 0.0
Au1 Au 0.04032 0.25 0.085 1 0.0
Sn4 Sn 0.34075 0.25 0.4157 1 0.0
Ca3 Ca 0.2012 0.25 0.7104 1 0.0
Ca2 Ca 0.1005 0.25 0.7917 1 0.0