#------------------------------------------------------------------------------
#$Date: 2015-10-10 02:31:49 +0300 (Sat, 10 Oct 2015) $
#$Revision: 163840 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/62/1536209.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_1536209
loop_
_publ_author_name
'Daams, J.L.C.'
'Villars, P.'
_publ_section_title
;
 Atomic environment classification of the rhombohedral "intermetallic"
 structure types
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              11
_journal_page_last               16
_journal_volume                  201
_journal_year                    1993
_chemical_formula_sum            'C3 Al6 N2'
_chemical_name_systematic        'Al6 C3 N2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.248
_cell_length_b                   3.248
_cell_length_c                   40.03
_cell_volume                     365.720
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Daams_JALCEU_1993_717.cif
_cod_data_source_block           C3Al6N2
_cod_original_cell_volume        365.7196
_cod_database_code               1536209
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,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
C1 C 0 0 0 1 0.0
Al3 Al 0 0 0.8079 1 0.0
Al1 Al 0 0 0.6909 1 0.0
C2 C 0 0 0.1346 1 0.0
Al2 Al 0 0 0.0843 1 0.0
N1 N 0 0 0.7402 1 0.0
