#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001782.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_9001782
_chemical_name 'Laurelite'
loop_
_publ_author_name
'Merlino S'
'Pasero M'
'Perchiazzi N'
'Kampf A R'
_journal_name_full "American Mineralogist"
_journal_volume 81
_journal_year 1996
_journal_page_first 1277
_journal_page_last 1281
_publ_section_title
;
 Laurelite: Its crystal structure and relationship to alpha-PbF2
;
_chemical_formula_sum 'Pb7 Cl F6'
_cell_length_a 10.267
_cell_length_b 10.267
_cell_length_c 3.9844
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 363.731
_symmetry_space_group_name_H-M 'P -6'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x+y,-x,-z'
  '-y,x-y,z'
  'x,y,-z'
  '-x+y,-x,z'
  '-y,x-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Pb1   0.58450   0.69340   0.50000   0.01640
Pb1*   0.57200   0.71000   0.00000   0.05100
Pb2   0.88550   0.59840   0.00000   0.01620
Pb2*   0.85300   0.56800   0.50000   0.00200
Pb3   0.00000   0.00000   0.50000   0.02910
Pb3*   0.00000   0.00000   0.00000   0.04000
Cl1   0.33333   0.66667   0.00000   0.02200
Cl2   0.66667   0.33333   0.50000   0.02200
F1   0.04800   0.62000   0.50000   0.01800
F2   0.60900   0.57000   0.00000   0.02400
F3   0.07900   0.86800   0.00000   0.03900
F4   0.83400   0.72900   0.50000   0.02100