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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/86/1538659.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_1538659
loop_
_publ_author_name
'le Blanc-Soreau, A.'
'Gardette, M.F.'
'Rouxel, J.'
'Gorochov, O.'
_publ_section_title
;
 Proprietes electriques et magnetiques de Mn0,25 Nb S2 et Mn0,33 Nb S2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1061
_journal_page_last               1061
_journal_volume                  11
_journal_year                    1976
_chemical_formula_sum            'Mn Nb4 S8'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.656
_cell_length_b                   6.656
_cell_length_c                   12.459
_cell_volume                     478.014
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            leBlanc-Soreau_MRBUAC_1976_586.cif
_cod_data_source_block           Mn1Nb4S8
_cod_original_cell_volume        478.0138
_cod_original_formula_sum        'Mn1 Nb4 S8'
_cod_database_code               1538659
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
Mn1 Mn 0 0 0 1 0.0
Nb2 Nb 0.4941 -0.0126 0.25 1 0.0
Nb1 Nb 0 0 0.25 1 0.0
S1 S 0.1683 0.3387 0.1261 1 0.0
S2 S 0.3333 0.6667 -0.122 1 0.0
