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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/1/53/15/1531514.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_1531514
loop_
_publ_author_name
'Hoistad Strauss, L.'
'Delp, C.M.'
_publ_section_title
;
 Crystal structure of Sm As S
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              143
_journal_page_last               145
_journal_volume                  353
_journal_year                    2003
_chemical_formula_sum            'As S Sm'
_chemical_name_systematic        'Sm As S'
_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                   17.1134
_cell_length_b                   3.8544
_cell_length_c                   3.9063
_cell_volume                     257.667
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            HoistadStrauss_JALCEU_2003_1366.cif
_cod_data_source_block           As1S1Sm1
_cod_original_cell_volume        257.6669
_cod_original_formula_sum        'As1 S1 Sm1'
_cod_database_code               1531514
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
Sm1 Sm 0.35431 0.25 0.23588 1 0.0
As1 As 0.49875 0.25 0.78565 1 0.0
S1 S 0.18609 0.25 0.26366 1 0.0
