#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/15/1521529.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_1521529
loop_
_publ_author_name
'Llanos, J.'
'Tapia, M.'
'Mujica, C.'
'Oro-Sole, J.'
'Gomez-Romero, P.'
_publ_section_title
;
 A new structural modification of stannite
;
_journal_name_full               'Boletin de la Sociedad Chilena de Quimica'
_journal_page_first              605
_journal_page_last               609
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'Cu2 Fe S4 Sn'
_chemical_name_systematic        'Cu2 Fe (Sn S4)'
_space_group_IT_number           81
_symmetry_space_group_name_Hall  'P -4'
_symmetry_space_group_name_H-M   'P -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.414
_cell_length_b                   5.414
_cell_length_c                   5.414
_cell_volume                     158.692
_citation_journal_id_ASTM        BOCQAX
_cod_data_source_file            Llanos_BOCQAX_2000_1673.cif
_cod_data_source_block           Cu2Fe1S4Sn1
_cod_original_cell_volume        158.6919
_cod_original_formula_sum        'Cu2 Fe1 S4 Sn1'
_cod_database_code               1521529
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-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
Cu1 Cu+1 0 0.5 0.5003 1 0.0
S1 S-2 0.2552 0.2551 0.2554 1 0.0
Sn1 Sn+4 0 0 0 1 0.0
Fe1 Fe+2 0.5 0.5 0 1 0.0
