#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000564.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_9000564
loop_
_publ_author_name
'Fleet, M. E.'
_publ_section_title
;
 The crystal structure of heazlewoodite, and metallic bonds in sulfide minerals
;
_journal_name_full               'American Mineralogist'
_journal_page_first              341
_journal_page_last               345
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Ni3 S2'
_chemical_name_mineral           Heazlewoodite
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'P 3* 2'
_symmetry_space_group_name_H-M   'R 3 2 :R'
_cell_angle_alpha                89.475
_cell_angle_beta                 89.475
_cell_angle_gamma                89.475
_cell_length_a                   4.0821
_cell_length_b                   4.0821
_cell_length_c                   4.0821
_cell_volume                     68.014
_exptl_crystal_density_diffrn    5.864
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_575'
_[local]_cod_cif_authors_sg_H-M  'R 3 2'
_cod_database_code               9000564
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-z,-y
z,x,y
-y,-x,-z
y,z,x
-z,-y,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ni 0.50000 0.24700 -0.24700 0.01431
S 0.25500 0.25500 0.25500 0.00063