#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/78/1527854.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_1527854
loop_
_publ_author_name
'Mueller, A.'
'Seivert, W.'
_publ_section_title
;
 Ueber Verbindungen des Typs Cu3 M Sx Se(4-X) (M = Nb,Ta). Bestimmung der
 Kristallstruktur von Cu3 Ta S Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              80
_journal_page_last               91
_journal_volume                  406
_journal_year                    1974
_chemical_formula_sum            'Cu3 S Se3 Ta'
_chemical_name_systematic        'Cu3 Ta S Se3'
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.627
_cell_length_b                   5.627
_cell_length_c                   5.627
_cell_volume                     178.168
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller_ZAACAB_1974_1959.cif
_cod_data_source_block           Cu3S1Se3Ta1
_cod_original_cell_volume        178.1684
_cod_original_formula_sum        'Cu3 S1 Se3 Ta1'
_cod_database_code               1527854
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
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
Cu1 Cu+1 0.5 0 0 1 0.0
Ta1 Ta+5 0 0 0 1 0.0
S1 S-2 0.2503 0.2503 0.2503 0.25 0.0
Se1 Se-2 0.2503 0.2503 0.2503 0.75 0.0
