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#$Date: 2016-01-01 14:41:06 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172402 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/03/2020360.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020360
loop_
_publ_author_name
'Range, K.J.'
'Klement, U.'
'Doell, G.'
'Bucher, E.'
'Baumann, J.R.'
_publ_section_title
;
 Dimanganese diindium pentaselenide, Mn2 In2 Se5
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              355
_journal_page_last               356
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'In2 Mn2 Se5'
_chemical_name_systematic        'Mn2 In2 Se5'
_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                   4.016
_cell_length_b                   4.016
_cell_length_c                   48.734
_cell_volume                     680.691
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Range_ACSCEE_1992_1508.cif
_cod_data_source_block           In2Mn2Se5
_cod_original_cell_volume        680.6911
_cod_database_code               2020360
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
Se2 Se-2 0 0 0.39368 1 0.0
Mn1 Mn+2 0 0 0.7007 0.8 0.0
Se1 Se-2 0 0 0.13537 1 0.0
In2 In+3 0 0 0.5547 0.8 0.0
Mn2 Mn+2 0 0 0.5547 0.2 0.0
Se3 Se-2 0 0 0 1 0.0
In1 In+3 0 0 0.7007 0.2 0.0
