#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/48/1534893.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_1534893
loop_
_publ_author_name
'Bayliss, P.'
_publ_section_title
;
 Crystal chemistry and crystallography of some minerals within the pyrite
 group
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1168
_journal_page_last               1176
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe S2'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.417
_cell_length_b                   5.417
_cell_length_c                   5.417
_cell_volume                     158.956
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Bayliss_AMMIAY_1989_1570.cif
_cod_data_source_block           Fe1S2
_cod_original_cell_volume        158.9558
_cod_original_formula_sum        'Fe1 S2'
_cod_database_code               1534893
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,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
S2 S 0.615 0.615 0.615 1 0.0
S1 S 0.385 0.635 0.385 1 0.0
Fe1 Fe -0.0049 0.2581 0.0016 1 0.0
