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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007574.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_9007574
_chemical_name 'Braggite'
loop_
_publ_author_name
'Childs J D'
'Hall S R'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 29
_journal_year 1973
_journal_page_first 1446
_journal_page_last 1451
_publ_section_title
;
 The crystal structure of braggite, (Pt,Pd,Ni)S
 Locality: Potgietersrust district, Transvaal, South Africa
;
_chemical_formula_sum 'Pd (Pt2.5 Ni.5) S4'
_cell_length_a 6.380
_cell_length_b 6.380
_cell_length_c 6.570
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 267.428
_symmetry_space_group_name_H-M 'P 42/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,-x,1/2-z'
  '-y,x,1/2+z'
  'x,y,-z'
  '-x,-y,z'
  '-y,x,1/2-z'
  'y,-x,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd   0.00000   0.50000   0.50000   1.00000
Pt1   0.00000   0.00000   0.25000   0.83330
Ni1   0.00000   0.00000   0.25000   0.16670
Pt2   0.25720   0.46670   0.00000   0.83330
Ni2   0.25720   0.46670   0.00000   0.16670
S   0.31210   0.19030   0.22670   1.00000