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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/30/05/2300522.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2300522
loop_
_publ_author_name
'Dusek, M.'
'Petricek, V.'
'Dinnebier, R.E.'
'Wunschel, M.'
'van Smaalen, S.'
_publ_section_title
;
 Refinement of modulated structures against X-ray powder diffraction data
 with JANA2000
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              398
_journal_page_last               404
_journal_volume                  34
_journal_year                    2001
_chemical_formula_sum            'Nb Te4'
_chemical_name_systematic        'Nb Te4'
_space_group_IT_number           124
_symmetry_space_group_name_Hall  '-P 4 2c'
_symmetry_space_group_name_H-M   'P 4/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3616
_cell_length_b                   6.3616
_cell_length_c                   6.837
_cell_volume                     276.693
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Dusek_JACGAR_2001_1103.cif
_cod_data_source_block           Nb1Te4
_cod_original_cell_volume        276.6931
_cod_original_formula_sum        'Nb1 Te4'
_cod_database_code               2300522
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,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
Te1 Te 0.23566 0.0916 0 1 0.0
Nb1 Nb 0 0 0.25 1 0.0