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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527126.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_1527126
loop_
_publ_author_name
'Bauer, D.'
'von Schnering, H.G.'
'Schaefer, H.'
_publ_section_title
;
 Darstellung, Eigenschaften, Struktur von Ta6 J14
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              388
_journal_page_last               401
_journal_volume                  8
_journal_year                    1965
_chemical_formula_sum            'I14 Ta6'
_chemical_name_systematic        '(Ta6 I12) I2'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-B 2 2ab'
_symmetry_space_group_name_H-M   'B b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.445
_cell_length_b                   12.505
_cell_length_c                   15
_cell_volume                     2709.521
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bauer_JCOMAH_1965_999.cif
_cod_data_source_block           I14Ta6
_cod_original_sg_symbol_Hall     '-C 2ac 2 (y,z,x)'
_cod_database_code               1527126
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,z
x,-y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
x,y,-z
-x,y-1/2,z-1/2
x+1/2,y,z+1/2
-x+1/2,y+1/2,-z+1
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,-y,-z+1/2
x+1/2,-y-1/2,z
x+1/2,y,-z+1/2
-x+1/2,y-1/2,z
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
I4 I-1 0.229 0.014 0.125 1 0.0
I5 I-1 0.141 0.25 0.25 1 0.0
Ta2 Ta+2 0.896 0.074 0 1 0.0
I1 I-1 0 0 0.25 1 0.0
I3 I-1 0.405 0.261 0.121 1 0.0
I2 I-1 0.131 0.261 0 1 0.0
Ta1 Ta+2 0.055 0.107 0.102 1 0.0