/usr/share/avogadro/crystals/intermetallics/Cu2MnAl-Heusler.cif is in avogadro-data 1.2.0-3.
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# All data on this site have been placed in the public domain by the
# contributors.
# 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_5910083
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Page 260 from the second edition of Structure of Crystals by Wyckoff
published by The Chemical Catalog Company, INC, New York in 1931
& http://cimesg1.epfl.ch/CIOLS/crystal2.pl
;
_journal_name_full 'The second edition of Structure of Crystals'
_journal_page_first 260
_journal_page_last 260
_journal_year 1931
_chemical_formula_structural AlCu2Mn
_chemical_formula_sum 'Al Cu2 Mn'
_space_group_IT_number 225
_symmetry_cell_setting cubic
_symmetry_Int_Tables_number 225
_symmetry_space_group_name_Hall '-F 4 2 3'
_symmetry_space_group_name_H-M 'F m -3 m'
_audit_creation_date 2005-28-12
_audit_creation_method
;
Page 260 from the second edition of Structure of Crystals by Wyckoff
published by The Chemical Catalog Company, INC, New York in 1931
& http://cimesg1.epfl.ch/CIOLS/crystal2.pl
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_length_a 5.95
_cell_length_b 5.95
_cell_length_c 5.95
_cell_volume 210.645
_cod_database_code 5910083
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loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.00000 0.00000 Al
0.25000 0.25000 0.25000 Cu
0.50000 0.50000 0.50000 Mn
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