#------------------------------------------------------------------------------
#$Date: 2015-07-13 03:03:01 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148787 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/72/1527299.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_1527299
loop_
_publ_author_name
'Dobrott, R.D.'
'Friedman, L.B.'
'Lipscomb, W.N.'
_publ_section_title
;
 Molecular and crystal structure of B20 H16
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              866
_journal_page_last               872
_journal_volume                  40
_journal_year                    1964
_chemical_formula_sum            'B20 H16'
_chemical_name_systematic        'B20 H16'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.65
_cell_length_b                   9.65
_cell_length_c                   29.64
_cell_volume                     2760.151
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Dobrott_JCPSA6_1964_1682.cif
_cod_data_source_block           H16B20
_cod_chemical_formula_sum_orig   'H16 B20'
_cod_database_code               1527299
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z+1/2
y+1/4,x+3/4,-z+3/4
-x+1/2,y,-z
-y+1/4,-x+1/4,-z+1/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z-1/2
-y-1/4,-x-3/4,z-3/4
x-1/2,-y,z
y-1/4,x-1/4,z-1/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1
y+3/4,x+5/4,-z+5/4
-x+1,y+1/2,-z+1/2
-y+3/4,-x+3/4,-z+3/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z
-y+1/4,-x-1/4,z-1/4
x,-y+1/2,z+1/2
y+1/4,x+1/4,z+1/4
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
B1 B 0.0673 0.062 -0.0899 1 0.0
H1 H 0.111 0.103 -0.122 1 0.0
B4 B 0.1811 0.0408 -0.0426 1 0.0
H3 H 0.06 0.285 -0.044 1 0.0
B2 B -0.1006 0.1096 -0.068 1 0.0
H2 H -0.167 0.194 -0.086 1 0.0
B3 B 0.0569 0.1772 -0.0424 1 0.0
B5 B -0.0844 0.0918 -0.009 1 0.0
H4 H 0.286 0.035 -0.041 1 0.0