#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/00/1100058.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_1100058
_chemical_formula_sum              'Cu5 Zn8'
_chemical_name_structure_type      'Cu5Zn8'

#  Publication Data

loop_
_publ_author_name                  'A.J.Bradley & C.H.Gregory'
_journal_name_full                 'Phil. Mag.'
_journal_coden_ASTM                PHMAA4
_journal_volume                    12
_journal_year                      1931
_journal_page_first                143

#  Unit Cell Data

_cell_length_a                     8.8500
_cell_length_b                     8.8500
_cell_length_c                     8.8500
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                       693.15
_cell_formula_units_Z              4

#  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
Cu1  8  c   0.8280   0.8280   0.8280   1.0000  Cu
Cu2  12  e   0.3550   0.0000   0.0000   1.0000  Cu
Zn1  8  c   0.1100   0.1100   0.1100   1.0000  Zn
Zn2  24  g   0.3130   0.3130   0.0360   1.0000  Zn
_cod_database_code 1100058