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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/1/52/96/1529673.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_1529673
loop_
_publ_author_name
'Bokii, G.B.'
'Tsinober, L.I.'
_publ_section_title
;
 The X-ray structure analysis of Cobaltine, Gersdorffite and Ulmanite
;
_journal_name_full
'Trudy Instituta Kristallografii, Akademiya Nauk SSSR'
_journal_page_first              239
_journal_page_last               250
_journal_volume                  9
_journal_year                    1954
_chemical_formula_sum            'As Ni S'
_chemical_name_systematic        'Ni As S'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.681
_cell_length_b                   5.681
_cell_length_c                   5.681
_cell_volume                     183.347
_citation_journal_id_ASTM        TIKRAS
_cod_data_source_file            Bokii_TIKRAS_1954_1872.cif
_cod_data_source_block           As1Ni1S1
_cod_original_cell_volume        183.3473
_cod_original_formula_sum        'As1 Ni1 S1'
_cod_database_code               1529673
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
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
S1 S 0.645 0.645 0.645 1 0.0
As1 As 0.41 0.41 0.41 1 0.0
Ni1 Ni 0 0 0 1 0.0
