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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530856.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_1530856
loop_
_publ_author_name
'Szymanski, J.T.'
_publ_section_title
;
 The crystal structure of cernyite, Cu2 Cd Sn S4, a cadmium analogue of
 Stannite
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              147
_journal_page_last               151
_journal_volume                  16
_journal_year                    1978
_chemical_formula_sum            'Cd0.37 Cu2 Fe0.29 S4 Sn Zn0.33'
_chemical_name_systematic        'Cu2 (Cd0.37 Zn0.33 Fe0.29) Sn S4'
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.487
_cell_length_b                   5.487
_cell_length_c                   10.848
_cell_volume                     326.603
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Szymanski_CAMIA6_1978_362.cif
_cod_data_source_block           Cd0.37Cu2Fe0.29S4Sn1Zn0.33
_cod_original_cell_volume        326.6026
_cod_original_formula_sum        'Cd0.37 Cu2 Fe0.29 S4 Sn1 Zn0.33'
_cod_database_code               1530856
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+1/2,z+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
Cd1 Cd+2 0 0 0 0.37 0.0
Zn1 Zn+2 0 0 0 0.33 0.0
Cu1 Cu+1 0 0.5 0.25 1 0.0
Fe1 Fe+2 0 0 0 0.29 0.0
Sn1 Sn+4 0.5 0.5 0 1 0.0
S1 S-2 0.75 0.75 0.8684 1 0.0
