#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/96/1539640.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_1539640
loop_
_publ_author_name
'Beck, H.P.'
'Milius, W.'
_publ_section_title
;
 ns2 Cations as a prerequisite for a structure type and their interaction
 in ternary halides with the formula type A4BX6 (A: In, Tl; B: Cd, Pb, Ge;
 X: Cl, Br, I)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              105
_journal_page_last               114
_journal_volume                  562
_journal_year                    1988
_chemical_formula_sum            'Cd I6 In4'
_chemical_name_systematic        'In4 (Cd I6)'
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.06
_cell_length_b                   9.06
_cell_length_c                   9.754
_cell_volume                     800.643
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_1988_1486.cif
_cod_data_source_block           Cd1I6In4
_cod_original_cell_volume        800.6435
_cod_original_formula_sum        'Cd1 I6 In4'
_cod_database_code               1539640
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z-1/2
-y-1/2,-x-1/2,z-1/2
x-1/2,-y-1/2,z-1/2
y-1/2,x-1/2,z-1/2
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
I2 I-1 0.30954 0.14985 0 1 0.0
Cd1 Cd+2 0 0 0 1 0.0
In1 In+1 0.35829 0.85829 0.25 1 0.0
I1 I-1 0 0 0.71048 1 0.0
