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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/79/1537921.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_1537921
loop_
_publ_author_name
'Eppinga, R.'
'Wiegers, G.A.'
_publ_section_title
;
 A generalized scheme for niobium and tantalum dichalcogenides
 intercalated with post-transition elements
;
_journal_name_full               'Physica B and C (Netherland) (79,1975-)'
_journal_page_first              121
_journal_page_last               127
_journal_volume                  99
_journal_year                    1980
_chemical_formula_sum            'Pb Se2 Ta'
_chemical_name_systematic        'Pb Ta Se2'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.44
_cell_length_b                   3.44
_cell_length_c                   9.35
_cell_volume                     95.821
_citation_journal_id_ASTM        PHBCDQ
_cod_data_source_file            Eppinga_PHBCDQ_1980_1351.cif
_cod_data_source_block           Pb1Se2Ta1
_cod_original_cell_volume        95.82066
_cod_original_formula_sum        'Pb1 Se2 Ta1'
_cod_database_code               1537921
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
-y,-x,-z
-x+y,y,z
x,x-y,-z
-y,-x,z
-x+y,y,-z
x,x-y,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
Ta1 Ta 0.3333 0.6667 0.5 1 0.0
Se1 Se 0 0 0.31 1 0.0
Pb1 Pb 0 0 0 1 0.0
