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#$Date: 2015-07-12 00:04:11 +0300 (Sun, 12 Jul 2015) $
#$Revision: 146468 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/61/2106168.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106168
loop_
_publ_author_name
'Yang Qibin'
'Andersson, S.'
'Stenberg, L.'
_publ_section_title
;
 An alternative description of the structure of Na Cd2
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              14
_journal_page_last               16
_journal_volume                  43
_journal_year                    1987
_chemical_formula_sum            'Cd1.89 Na1.11'
_chemical_name_systematic        'Cd1.89 Na1.11'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            392
_cell_length_a                   30.56
_cell_length_b                   30.56
_cell_length_c                   30.56
_cell_volume                     28540.400
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            YangQibin_ASBSDK_1987_665.cif
_cod_data_source_block           Cd1.89Na1.11
_cod_cif_authors_sg_Hall         '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_cell_volume        28540.4
_cod_database_code               2106168
loop_
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x,y,z
-y+1/4,x+1/4,z+1/4
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z,x,y
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y,z+1/2,x+1/2
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-z+3/4,y+3/4,x+5/4
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y,-x+1/2,-z+1/2
x+1/4,y+1/4,-z+1/4
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-x+1/4,y+1/4,z+1/4
-y-1/2,-x+1/2,z
x+1/4,-y+3/4,z+3/4
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z+1/4,x+1/4,-y+1/4
-x-1/2,z+1/2,-y
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-x-1/2,-z+1/2,y
z+1/4,-x+3/4,y+3/4
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-y-1/4,z+3/4,x+1/4
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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
Na10 Na 0.4373 0.4373 0.4373 0.29 0.0
Na9 Na 0.3799 0.3799 0.3799 0.22 0.0
Cd2 Cd 0.2155 0.2155 0.2155 1 0.0
Na11 Na 0.1805 0.1805 0.5687 0.39 0.0
Na3 Na 0.0698 0.0698 0.2037 1 0.0
Cd8 Cd 0.5 0.5 0.5 0.43 0.0
Na1 Na 0.3149 0.3149 0.3149 1 0.0
Cd5 Cd 0.217 0.217 0.4877 1 0.0
Na13 Na 0.1382 0.1382 0.4884 0.82 0.0
Cd4 Cd 0.1463 0.1463 0.2176 1 0.0
Na12 Na 0.2174 0.2174 0.6498 0.43 0.0
Na2 Na 0.1364 0 0 1 0.0
Cd13 Cd 0.1382 0.1382 0.4884 0.18 0.0
Na14 Na 0.0431 0.0431 0.316 0.86 0.0
Cd7 Cd 0.1456 0.2137 0.4207 1 0.0
Na8 Na 0.5 0.5 0.5 0.57 0.0
Cd10 Cd 0.4373 0.4373 0.4373 0.71 0.0
Cd1 Cd 0.125 0.125 0.125 1 0.0
Cd3 Cd 0.6033 0.6033 0.6033 0.5 0.0
Cd9 Cd 0.3799 0.3799 0.3799 0.78 0.0
Cd6 Cd 0.125 -0.0117 0.2617 1 0.0
Cd11 Cd 0.1805 0.1805 0.5687 0.61 0.0
Cd14 Cd 0.0431 0.0431 0.316 0.14 0.0
Cd12 Cd 0.2174 0.2174 0.6498 0.57 0.0