#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/00/1100048.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.
#
#  Crystal Data
data_1100048
_chemical_formula_sum              'Al2 Cr'
_chemical_name_structure_type      'Cu5Zn8'

#  Publication Data

loop_
_publ_author_name                  'J.Braun, M.Ellner & B.Predel'
_journal_name_full                 'J. alloys compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    183
_journal_year                      1992
_journal_page_first                444
_journal_page_last                 448

#  Unit Cell Data

_cell_length_a                     9.090
_cell_length_b                     9.090
_cell_length_c                     9.090
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                       751.09
_cell_formula_units_Z              17.33

#  Space Group

_symmetry_space_group_name_H-M     'I -4 3 m'
_symmetry_Int_Tables_number        217
_symmetry_cell_setting             cubic

loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,z'
'-x,y,-z'
'x,-y,-z'
'z,x,y'
'z,-x,-y'
'-z,-x,y'
'-z,x,-y'
'y,z,x'
'-y,z,-x'
'y,-z,-x'
'-y,-z,x'
'y,x,z'
'-y,-x,z'
'y,-x,-z'
'-y,x,-z'
'x,z,y'
'-x,z,-y'
'-x,-z,y'
'x,-z,-y'
'z,y,x'
'z,-y,-x'
'-z,y,-x'
'-z,-y,x'
'x+1/2,y+1/2,z+1/2'
'-x+1/2,-y+1/2,z+1/2'
'-x+1/2,y+1/2,-z+1/2'
'x+1/2,-y+1/2,-z+1/2'
'z+1/2,x+1/2,y+1/2'
'z+1/2,-x+1/2,-y+1/2'
'-z+1/2,-x+1/2,y+1/2'
'-z+1/2,x+1/2,-y+1/2'
'y+1/2,z+1/2,x+1/2'
'-y+1/2,z+1/2,-x+1/2'
'y+1/2,-z+1/2,-x+1/2'
'-y+1/2,-z+1/2,x+1/2'
'y+1/2,x+1/2,z+1/2'
'-y+1/2,-x+1/2,z+1/2'
'y+1/2,-x+1/2,-z+1/2'
'-y+1/2,x+1/2,-z+1/2'
'x+1/2,z+1/2,y+1/2'
'-x+1/2,z+1/2,-y+1/2'
'-x+1/2,-z+1/2,y+1/2'
'x+1/2,-z+1/2,-y+1/2'
'z+1/2,y+1/2,x+1/2'
'z+1/2,-y+1/2,-x+1/2'
'-z+1/2,y+1/2,-x+1/2'
'-z+1/2,-y+1/2,x+1/2'

#  Atomic Coordinates

loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_type_symbol
Cr  8  c   0.8300   0.8300   0.8300   1.0000  Cr
Al1  8  c   0.1062   0.1062   0.1062   0.7500  Al
Cr1  8  c   0.1062   0.1062   0.1062   0.2500  Cr
Al2  12  e   0.3522   0.0000   0.0000   0.1670  Al
Cr2  12  e   0.3522   0.0000   0.0000   0.8330  Cr
Al  24  g   0.3087   0.3087   0.0394   1.0000  Al
_cod_database_code 1100048