#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/40/9004073.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9004073
loop_
_publ_author_name
'Childs, J. D.'
'Hall, S. R.'
_publ_section_title
;
 The crystal structure of michenerite, PdBiTe
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              61
_journal_page_last               65
_journal_volume                  12
_journal_year                    1973
_chemical_formula_sum            'Bi0.88 Pd Sb0.11 Te'
_chemical_name_mineral           Michenerite
_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_length_a                   6.642
_cell_length_b                   6.642
_cell_length_c                   6.642
_cell_volume                     293.020
_exptl_crystal_density_diffrn    9.777
_cod_original_formula_sum        'Pd Te Bi.88 Sb.11'
_cod_database_code               9004073
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pd 0.00920 0.00920 0.00920 0.00010 0.00010 0.00010
Te 0.00990 0.00990 0.00990 0.00090 0.00090 0.00090
Bi 0.00890 0.00890 0.00890 0.00120 0.00120 0.00120
Sb 0.00890 0.00890 0.00890 0.00120 0.00120 0.00120
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd 0.00480 0.00480 0.00480 1.00000
Te 0.62700 0.62700 0.62700 1.00000
Bi 0.36840 0.36840 0.36840 0.88000
Sb 0.36840 0.36840 0.36840 0.11000