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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/2/10/69/2106920.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106920
loop_
_publ_author_name
'Entner, P.'
'Parthe, E.'
_publ_section_title
;
 Pt Ge Se with cobaltite structure, a ternary variant of the pyrite
 structure
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1557
_journal_page_last               1560
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Ge Pt Se'
_chemical_name_systematic        'Pt Ge Se'
_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                   6.015
_cell_length_b                   6.072
_cell_length_c                   5.992
_cell_volume                     218.846
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Entner_ACBCAR_1973_1015.cif
_cod_data_source_block           Ge1Pt1Se1
_cod_original_cell_volume        218.8463
_cod_original_formula_sum        'Ge1 Pt1 Se1'
_cod_database_code               2106920
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
Ge1 Ge 0.3833 0.1364 0.6168 1 0.0
Pt1 Pt 0.0086 0.742 0 1 0.0
Se1 Se 0.6198 0.3759 0.382 1 0.0
