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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/13/1511394.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_1511394
loop_
_publ_author_name
'Zavalii, P.Yu.'
'Bruskov, V.A.'
'Kuz'ma, Yu.B.'
'Mikhalenko, S.I.'
_publ_section_title
;
 Structure of a new boride Pr8 Re13-x B12
;
_journal_name_full               Kristallografiya
_journal_page_first              621
_journal_page_last               624
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'B12 Pr8 Re12.62'
_chemical_name_systematic        'Pr8 Re12.62 B12'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.665
_cell_length_b                   10.665
_cell_length_c                   14.83
_cell_volume                     1460.809
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            boron0-1_538.cif
_cod_data_source_block           B12Pr8Re12.62
_cod_database_code               1511394
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Re2 Re 0.1563 0.8437 0.2491 1 0.0
Pr1 Pr 0 0 0.3585 1 0.0
Pr2 Pr 0.5021 0.0042 0.3117 1 0.0
Re1 Re 0 0 0 0.62 0.0
Re3 Re 0.5828 0.1656 0.4989 1 0.0
B1 B 0.342 0 0.5 1 0.0
B2 B 0.827 0.827 0.5 1 0.0
