/usr/share/avogadro/crystals/intermetallics/(Ni0.5Fe0.5)Pt-Ferronickelplatinum.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.
#------------------------------------------------------------------------------
#$Date: 2010-06-10 15:11:07 +0000 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: svn://cod.ibt.lt/cod/cif/9/9004220.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004220
loop_
_publ_author_name
'Bayliss, P.'
_publ_section_title
;
Revised unit cell dimensions, space group,
and chemical formua of some metallic minerals
;
_journal_name_full 'The Canadian Mineralogist'
_journal_page_first 751
_journal_page_last 755
_journal_volume 28
_journal_year 1990
_chemical_formula_sum 'Fe0.5 Ni0.5 Pt'
_chemical_name_mineral Ferronickelplatinum
_space_group_IT_number 123
_symmetry_space_group_name_Hall '-P 4 2'
_symmetry_space_group_name_H-M 'P 4/m m m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_length_a 2.731
_cell_length_b 2.731
_cell_length_c 3.641
_cell_volume 27.156
_exptl_crystal_density_diffrn 15.431
_[local]_cod_chemical_formula_sum_orig '(Ni.5 Fe.5) Pt'
_cod_database_code 9004220
_amcsd_database_code AMCSD#0005205
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,x,-z
y,-x,-z
-y,x,z
x,-y,z
-x,y,-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
-y,x,-z
y,-x,z
-x,y,z
x,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni 0.50000 0.50000 0.50000 0.50000
Fe 0.50000 0.50000 0.50000 0.50000
Pt 0.00000 0.00000 0.00000 1.00000
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