#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539766.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_1539766
loop_
_publ_author_name
'Derkach, V.A.'
'Kotur, B.Ya.'
_publ_section_title
;
 The crystal structure of Sc2 Ni2 Sn
;
_journal_name_full
;
Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
;
_journal_page_first              928
_journal_page_last               929
_journal_volume                  30
_journal_year                    1994
_chemical_formula_sum            'Ni2 Sc2 Sn'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0928
_cell_length_b                   7.0928
_cell_length_c                   3.38
_cell_volume                     170.040
_citation_journal_id_ASTM        INOMAF
_cod_data_source_file            Derkach_INOMAF_1994_1105.cif
_cod_data_source_block           Ni2Sc2Sn1
_cod_original_cell_volume        170.0404
_cod_original_formula_sum        'Ni2 Sc2 Sn1'
_cod_database_code               1539766
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z
y+1/2,x+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z
-y-1/2,-x-1/2,z
x-1/2,-y-1/2,z
y-1/2,x-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
Sc1 Sc 0.1651 0.6651 0.5 1 0.0
Sn1 Sn 0 0 0 1 0.0
Ni1 Ni 0.3766 0.8766 0 1 0.0
