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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/1/53/17/1531736.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_1531736
loop_
_publ_author_name
'Margadonna, S.'
'Prassides, K.'
'Brown, C.M.'
'Fitch, A.N.'
'Knudsen, K.D.'
'Tanigaki, K.'
'Le Bihan, T.'
'Mezouar, M.'
'Hirosawa, I.'
_publ_section_title
;
 Temperature and pressure dependence of orientational disorder and bonding
 in Li2 Cs C60
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              157
_journal_page_last               163
_journal_volume                  1
_journal_year                    1999
_chemical_formula_sum            'C60 Cs Li2'
_chemical_name_systematic        'Li2 Cs C60'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.945
_cell_length_b                   13.945
_cell_length_c                   13.945
_cell_volume                     2711.787
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Margadonna_IJIMCR_1999_1692.cif
_cod_data_source_block           C60Cs1Li2
_cod_original_formula_sum        'C60 Cs1 Li2'
_cod_database_code               1531736
loop_
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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
C1 C 0 0 0 60 0.0
Li2 Li 0.5 0.5 0.5 0.02 0.0
Cs2 Cs 0.5 0.5 0.5 0.98 0.0
Li1 Li 0.25 0.25 0.25 0.99 0.0
Cs1 Cs 0.25 0.25 0.25 0.01 0.0
