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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/22/1542202.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_1542202
loop_
_publ_author_name
'Hahn, H.'
'Meyer, A.D.'
'Frank, G.'
'Klingler, W.'
'Stoerger, G.'
_publ_section_title
;
 Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              153
_journal_page_last               170
_journal_volume                  271
_journal_year                    1953
_chemical_formula_sum            'Al Cu Se2'
_chemical_name_systematic        'Cu Al Se2'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.617
_cell_length_b                   5.617
_cell_length_c                   10.922
_cell_volume                     344.597
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hahn_ZAACAB_1953_916.cif
_cod_data_source_block           Al1Cu1Se2
_cod_original_cell_volume        344.5966
_cod_original_formula_sum        'Al1 Cu1 Se2'
_cod_database_code               1542202
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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
Se1 Se-2 0.26 0.25 0.125 1 0.0
Cu1 Cu+1 0 0 0 1 0.0
Al1 Al+3 0 0 0.5 1 0.0