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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/1/52/85/1528542.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_1528542
loop_
_publ_author_name
'Gu, Q.F.'
'Jung, D.Y.'
'Krauss, G.'
'Steurer, W.'
_publ_section_title
;
 Crystal structure and high-pressure studies of W Al2, an aluminide
 crystallizing with the Cr Si2 structure type
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2719
_journal_page_last               2724
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Al2 W'
_chemical_name_systematic        'W Al2'
_space_group_IT_number           181
_symmetry_space_group_name_Hall  'P 64 2 (0 0 2)'
_symmetry_space_group_name_H-M   'P 64 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.7422
_cell_length_b                   4.7422
_cell_length_c                   6.6057
_cell_volume                     128.650
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gu_JSSCBI_2008_1606.cif
_cod_data_source_block           Al2W1
_cod_original_cell_volume        128.6498
_cod_original_sg_symbol_Hall     'P 64 2 (x,y,z+1/6)'
_cod_chemical_formula_sum_orig   'Al2 W1'
_cod_database_code               1528542
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+2/3
-y,x-y,z+1/3
-x,-y,z
-x+y,-x,z+2/3
y,-x+y,z+1/3
-y,-x,-z+1/3
x-y,-y,-z
x,x-y,-z+2/3
y,x,-z+1/3
-x+y,y,-z
-x,-x+y,-z+2/3
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
W1 W+6 0.5 0.5 0.1667 1 0.0
Al0 Al-3 0.8382 0.1618 0.1667 1 0.0