#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/24/1532440.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_1532440
loop_
_publ_author_name
'Zheng, C.'
'Mattausch, H.J.'
'Simon, A.'
_publ_section_title
;
 La5 M3 X (M = Sn, Bi; X = Cl, Br, I): exploring the limit of the (Mn5
 Si3)-type hosting lattice
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              79
_journal_page_last               85
_journal_volume                  347
_journal_year                    2002
_chemical_formula_sum            'Bi3 Br La5'
_chemical_name_systematic        'La5 Bi3 Br'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.742
_cell_length_b                   9.742
_cell_length_c                   6.795
_cell_volume                     558.491
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Zheng_JALCEU_2002_596.cif
_cod_data_source_block           Bi3Br1La5
_cod_original_cell_volume        558.4911
_cod_original_formula_sum        'Bi3 Br1 La5'
_cod_database_code               1532440
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
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-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
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,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
La2 La 0.3333 0.6667 0 1 0.0
La1 La 0.2728 0 0.25 1 0.0
Br1 Br 0 0 0 1 0.0
Bi1 Bi 0.3829 0.3829 0.25 1 0.0
