#------------------------------------------------------------------------------
#$Date: 2015-07-14 01:05:37 +0200 (mar 14 de jul de 2015) $
#$Revision: 151511 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/88/1528807.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_1528807
loop_
_publ_author_name
'Puff, H.'
'Heine, D.'
'Lieck, G.'
_publ_section_title
;
 Quecksilberschwefelfluoride
;
_journal_name_full               Naturwissenschaften
_journal_page_first              298
_journal_page_last               298
_journal_volume                  55
_journal_year                    1968
_chemical_formula_sum            'F2 Hg3 S2'
_chemical_name_systematic        'Hg3 S2 F2'
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.14
_cell_length_b                   8.14
_cell_length_c                   8.14
_cell_volume                     539.353
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Puff_NATWAY_1968_373.cif
_cod_data_source_block           F2Hg3S2
_cod_original_cell_volume        539.3532
_cod_database_code               1528807
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z+1/2
-x,y+1/2,-z+1/2
z,x,y
-z,-x+1/2,y
z,-x,-y+1/2
-z,x+1/2,-y+1/2
y,z,x
y,-z,-x+1/2
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1,-z+1
z+1/2,x+1/2,y+1/2
-z+1/2,-x+1,y+1/2
z+1/2,-x+1/2,-y+1
-z+1/2,x+1,-y+1
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1
-y+1/2,z+1,-x+1
-y+1,-z+1/2,x+1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
F1 F-1 0.04 0.04 0.04 1 0.0
S1 S-2 0.288 0.288 0.288 1 0.0
Hg1 Hg+2 0.328 0 0.25 1 0.0
