#------------------------------------------------------------------------------
#$Date: 2015-10-13 16:10:36 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167097 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538507.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_1538507
loop_
_publ_author_name
'Puff, H.'
'Kuester, J.'
_publ_section_title
;
 Die Kristallstruktur der kubischen
 Triquecksilber-dichalkonium-dihalogenide
;
_journal_name_full               Naturwissenschaften
_journal_page_first              464
_journal_page_last               465
_journal_volume                  49
_journal_year                    1962
_chemical_formula_sum            'Br2 Hg3 Te2'
_chemical_name_systematic        'Hg3 Te2 Br2'
_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                   9.54
_cell_length_b                   9.54
_cell_length_c                   9.54
_cell_volume                     868.251
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Puff_NATWAY_1962_1850.cif
_cod_data_source_block           Br2Hg3Te2
_cod_original_cell_volume        868.2507
_cod_database_code               1538507
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
Te1 Te-2 0.274 0.274 0.274 1 0.0
Br1 Br-1 0.02 0.02 0.02 1 0.0
Hg1 Hg+2 0.304 0 0.25 1 0.0
