#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/65/1536521.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_1536521
loop_
_publ_author_name
'Peacock, M.A.'
'Henry, W.G.'
_publ_section_title
;
 The crystal structure of cobaltite Co As S, gersdorffite Ni As S, and
 ullmannite Ni Sb S
;
_journal_name_full
'University of Toronto Studies, Geological Series'
_journal_page_first              71
_journal_page_last               80
_journal_volume                  52
_journal_year                    1948
_chemical_formula_sum            'Ni S Sb'
_chemical_name_systematic        'Ni Sb 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                   5.908
_cell_length_b                   5.908
_cell_length_c                   5.908
_cell_volume                     206.216
_citation_journal_id_ASTM        UTSGAL
_cod_data_source_file            Peacock_UTSGAL_1948_726.cif
_cod_data_source_block           Ni1S1Sb1
_cod_original_cell_volume        206.2156
_cod_original_formula_sum        'Ni1 S1 Sb1'
_cod_database_code               1536521
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
Sb1 Sb 0.385 0.385 0.385 1 0.0
S1 S 0.615 0.615 0.615 1 0.0
Ni1 Ni 0 0 0 1 0.0
