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#$Date: 2015-10-12 18:07:13 +0300 (Mon, 12 Oct 2015) $
#$Revision: 165981 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/76/1537675.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_1537675
loop_
_publ_author_name
'Chattopadhyay, T.K.'
'Pannetier, J.'
'von Schnering, H.G.'
_publ_section_title
;
 Neutron diffraction study of the structural phase transition in Sn S and
 Sn Se
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              879
_journal_page_last               885
_journal_volume                  47
_journal_year                    1986
_chemical_formula_sum            'Se Sn'
_chemical_name_systematic        'Sn Se'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.37
_cell_length_b                   4.186
_cell_length_c                   4.439
_cell_volume                     211.273
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Chattopadhyay_JPCSAW_1986_1912.cif
_cod_data_source_block           Se1Sn1
_cod_original_cell_volume        211.2734
_cod_chemical_formula_sum_orig   'Se1 Sn1'
_cod_database_code               1537675
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Se1 Se 0.8555 0.25 0.4828 1 0.0
Sn1 Sn 0.1187 0.25 0.0988 1 0.0