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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542131.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_1542131
loop_
_publ_author_name
'Krebs, H.'
'Ludwig, T.'
_publ_section_title
;
 Die Struktur der Metallpolyphosphide des Typs Hg Pb P14
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              257
_journal_page_last               348
_journal_volume                  294
_journal_year                    1958
_chemical_formula_sum            'Hg P14 Pb'
_chemical_name_systematic        'Hg Pb P14'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.71
_cell_length_b                   12.8
_cell_length_c                   9.93
_cell_volume                     1361.284
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1958_1250.cif
_cod_data_source_block           Hg1P14Pb1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_chemical_formula_sum_orig   'Hg1 P14 Pb1'
_cod_database_code               1542131
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
P1 P 0.343 0.46 0.75 1 0.0
P4 P 0.218 0.42 0.583 1 0.0
P5 P 0.412 0.077 0.25 1 0.0
P6 P 0.412 0.077 0.583 1 0.0
P8 P 0.338 0.18 0.083 1 0.0
Hg1 Hg 0.007 0.183 0.25 1 0.0
P9 P 0.13 0.15 0.054 1 0.0
P3 P 0.218 0.42 0.25 1 0.0
P7 P 0.338 0.18 0.75 1 0.0
P2 P 0.343 0.46 0.083 1 0.0
Pb1 Pb 0.093 0.178 0.75 1 0.0