#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/15/1511543.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_1511543
loop_
_publ_author_name
'Simon, A.'
'Mattausch, H.J.'
_journal_name_full               'Astracts, ISBB 96, Baden, Austria'
_journal_page_first              1
_journal_page_last               1
_journal_volume                  1996
_journal_year                    1996
_chemical_formula_sum            'B4 Br5 La4'
_chemical_name_systematic        'La4 B4 Br5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.07
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.2559
_cell_length_b                   4.2942
_cell_length_c                   19.253
_cell_volume                     1331.792
_citation_journal_id_ASTM        ABIBAI
_cod_data_source_file            boron4-x_18.cif
_cod_data_source_block           B4Br5La4
_cod_database_code               1511543
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Br3 Br-1 0.33401 0 0.06613 1 0.0
La2 La+3 0.3755 0 0.37488 1 0.0
B1 B-1 0.2693 0.1843 0.2285 1 0.0
Br1 Br-1 0.22424 0 0.40519 1 0.0
B2 B-1 0.2268 0.5 0.1725 1 0.0
La3 La+3 0.38576 0.5 0.19745 1 0.0
La1 La+3 0.16217 0.5 0.27492 1 0.0
La4 La+3 0.15876 0 0.08291 1 0.0
Br2 Br-1 0.04263 0 0.16742 1 0.0
Br5 Br-1 0 0 0.5 1 0.0
Br6 Br-1 0.5 0 0 1 0.0
Br4 Br-1 0.00685 0.5 0.31469 1 0.0
B3 B-1 0.3119 0.5 0.2866 1 0.0
