#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1100050.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_global
_chemical_formula_sum              'Al16 Cr9.50'
_chemical_name_structure_type      'Al8Cr5'

#  Publication Data

_publ_author_name                  'J.K.Brandon,W.B.Pearson,P.W.Riley,C.Chien & R.Stokhuyzen'
_journal_name_full                 'Acta Crystallogr., Sect. B'
_journal_volume                    B33
_journal_year                      1977
_journal_page_first                1088

#  Unit Cell Data

_cell_length_a                     7.811
_cell_length_b                     7.811
_cell_length_c                     7.811
_cell_angle_alpha                 109.13
_cell_angle_beta                  109.13
_cell_angle_gamma                 109.13
_cell_volume                       371.42
_cell_formula_units_Z              1

#  Space Group

_symmetry_space_group_name_H-M     'R 3 m'
_symmetry_Int_Tables_number        160
_symmetry_cell_setting             rhombohedral

loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'z,x,y'
'y,z,x'
'y,x,z'
'x,z,y'
'z,y,x'

#  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
Cr1  1  a   0.1795   0.1795   0.1795   0.5000  Cr
Cr2  1  a  -0.3071  -0.3071  -0.3071   1.0000  Cr
Cr3  3  b   0.0000   0.0000   0.3451   1.0000  Cr
Cr10  3  b   0.0055   0.0055  -0.2096   0.5000  Cr
Al10  3  b   0.0055   0.0055  -0.2096   0.5000  Al
Cr20  3  b   0.3699   0.3699   0.0306   0.6667  Cr
Al20  3  b   0.3699   0.3699   0.0306   0.3333  Al
Cr30  3  b   0.3608   0.3608   0.5720   0.5000  Cr
Al30  3  b   0.3608   0.3608   0.5720   0.5000  Al
Al1  3  b  -0.3608  -0.3608  -0.0095   1.0000  Al
Al2  3  b  -0.2709  -0.2709  -0.6270   1.0000  Al
Al3  6  c  -0.3179   0.2982   0.0533   1.0000  Al