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#$Date: 2015-10-09 13:34:56 +0200 (vie 09 de oct de 2015) $
#$Revision: 161809 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/48/1534804.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_1534804
loop_
_publ_author_name
'Guerin, R.'
'Ghadraoui, E.G.E.'
'Pivan, J.Y.'
'Padiou, J.'
'Sergent, M.'
_publ_section_title
;
 Nouveau type structural dans la chimie des phosphures: Le compose
 ternaire Ni20 Zr6 P13. Preparation, structure et proprietes.
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1257
_journal_page_last               1270
_journal_volume                  19
_journal_year                    1984
_chemical_formula_sum            'Ni20 P13 Zr6'
_chemical_name_systematic        'Ni20 Zr6 P13'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.485
_cell_length_b                   12.485
_cell_length_c                   3.622
_cell_volume                     488.941
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Guerin_MRBUAC_1984_342.cif
_cod_data_source_block           Ni20P13Zr6
_cod_original_cell_volume        488.9406
_cod_database_code               1534804
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-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
Ni6 Ni 0.0944 0.8932 0 1 0.0
P4 P 0.0578 0.7688 0.5 1 0.0
P1 P 0.613 0.139 0 1 0.0
Ni3 Ni 0.4201 0.9787 0 1 0.0
Ni8 Ni 0.6667 0.3333 0 1 0.0
Ni7 Ni 0.3333 0.6667 0.5 1 0.0
P2 P 0.3873 0.8594 0.5 1 0.0
Ni5 Ni 0.9211 0.0834 0.5 1 0.0
P3 P 0.9517 0.2351 0 1 0.0
Ni1 Ni 0.7527 0.0783 0 1 0.0
Ni2 Ni 0.2522 0.9284 0.5 1 0.0
Zr1 Zr 0.5261 0.806 0 1 0.0
Zr2 Zr 0.4732 0.1888 0.5 1 0.0
Ni4 Ni 0.586 0.0183 0.5 1 0.0
P5 P 0 0 0 1 0.0
