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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/71/2107149.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_2107149
loop_
_publ_author_name
'Samson, S.'
_publ_section_title
;
 Complex cubic A6 B compounds. II. The crystal structure of Mg6 Pd
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              936
_journal_page_last               945
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Mg340.04 Pd55.84'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   20.108
_cell_length_b                   20.108
_cell_length_c                   20.108
_cell_volume                     8130.301
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Samson_ACBCAR_1972_1925.cif
_cod_data_source_block           Mg340.04Pd55.84
_cod_database_code               2107149
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
z,x,y
x,-z,-y
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z,-x,-y
-x,-z,y
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x,z,y
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z,y,x
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z,x+1/2,y+1/2
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z+1/2,x,y+1/2
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z+1/2,y,x+1/2
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z+1/2,-x+1/2,-y
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x+1/2,z+1/2,y
y+1/2,z+1/2,x
y+1/2,-z+1/2,-x
-z+1/2,-y+1/2,x
-y+1/2,z+1/2,-x
z+1/2,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
Mg2 Mg 0.09395 0.09395 0.27391 1 0.0
Pd3 Pd 0.66868 0.66868 0.66868 0.49 0.0
Mg6 Mg 0.1072 0 0 1 0.0
Mg11 Mg 0.25 0.25 0.75 0.97 0.0
Pd4 Pd 0.90038 0.90038 0.90038 1 0.0
Mg7 Mg 0.38134 0 0 1 0.0
Mg8 Mg 0.06482 0.25 0.25 1 0.0
Pd1 Pd 0.1679 0.1679 0.1679 1 0.0
Pd2 Pd 0.40653 0.40653 0.40653 1 0.0
Mg9 Mg 0.3025 0.3025 0.3025 1 0.0
Mg1 Mg 0.14355 0.14355 0.03398 1 0.0
Mg3 Mg 0.15097 0.15097 0.52812 1 0.0
Mg4 Mg 0.05655 0.05655 0.7676 1 0.0
Mg5 Mg 0.20016 0.20016 0.9072 1 0.0
Mg10 Mg 0.66868 0.66868 0.66868 0.51 0.0
